Phenols
Hydroquinone, 99%, ACROS Organics™
CAS: 123-31-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002339 InChI Key: QIGBRXMKCJKVMJ-UHFFFAOYSA-N Synonym: hydroquinone, 1,4-benzenediol, quinol, 1,4-dihydroxybenzene, p-benzenediol, 4-hydroxyphenol, p-hydroquinone, p-hydroxyphenol, p-dihydroxybenzene, benzoquinol PubChem CID: 785 ChEBI: CHEBI:17594 IUPAC Name: benzene-1,4-diol SMILES: C1=CC(=CC=C1O)O
4-Chlororesorcinol, 98%, Acros Organics
CAS: 95-88-5 Molecular Formula: C6H5ClO2 Molecular Weight (g/mol): 144.56 MDL Number: MFCD00002273 InChI Key: JQVAPEJNIZULEK-UHFFFAOYSA-N Synonym: 4-chlororesorcinol, 1,3-benzenediol, 4-chloro, p-chlororesorcinol, 4-chlororesorcin, resorcinol, 4-chloro, 6-chlororesorcinol, 4-chloro-1,3-dihydroxybenzene, 4-chloro-1,3-benzenediol, 2,4-dihydroxychlorobenzene, 1,3-dihydroxy-4-chlorobenzene PubChem CID: 1731 IUPAC Name: 4-chlorobenzene-1,3-diol SMILES: C1=CC(=C(C=C1O)O)Cl
Alfa Aesar™ 2-Fluoro-4-hydroxybenzonitrile, 99%
CAS: 82380-18-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00192177 InChI Key: REIVHYDACHXPNH-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorophenol, 3-fluoro-4-cyanophenol, 2-fluoro-4-benzonitrile, benzonitrile, 2-fluoro-4-hydroxy, 4-hydroxy-2-fluorobenzonitrile, 2-fluoro-4-hydroxy-benzonitrile, 2-fluoro-4-hydroxybenzenecarbonitrile, pubchem2610, pubchem3495 PubChem CID: 2734675 IUPAC Name: 2-fluoro-4-hydroxybenzonitrile SMILES: C1=CC(=C(C=C1O)F)C#N
Alfa Aesar™ 4-Hydroxy-3,5-diiodobenzonitrile, 97%
CAS: 1689-83-4 Molecular Formula: C7H3I2NO Molecular Weight (g/mol): 370.916 MDL Number: MFCD00016422 InChI Key: NRXQIUSYPAHGNM-UHFFFAOYSA-N Synonym: ioxynil, actril, bentrol, 3,5-diiodo-4-hydroxybenzonitrile, cipotril, trevespan, certrol, joxynil, loxynil, iotox PubChem CID: 15530 ChEBI: CHEBI:81821 IUPAC Name: 4-hydroxy-3,5-diiodobenzonitrile SMILES: C1=C(C=C(C(=C1I)O)I)C#N
Alfa Aesar™ 2-Fluoro-4-hydroxybenzeneboronic acid pinacol ester, 96%
CAS: 1029439-02-8 Molecular Formula: C12H16BFO3 Molecular Weight (g/mol): 238.065 MDL Number: MFCD16994421 InChI Key: ASYQJYIEVNXWDV-UHFFFAOYSA-N Synonym: 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol, 2-fluoro-4-hydroxybenzeneboronic acid pinacol ester, 2-fluoro-4-hydroxyphenylboronic acid pinacol ester, 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenol, phenol, 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl, 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-phenol, 3-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenol PubChem CID: 54759098 IUPAC Name: 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)O)F
Alfa Aesar™ 4-Hydroxy-3,5-dinitrobenzoic acid, 98+%
CAS: 1019-52-9 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.116 MDL Number: MFCD00017000 InChI Key: GBSWIDSKAJFWMF-UHFFFAOYSA-N Synonym: 3,5-dinitro-4-hydroxybenzoic acid, acmc-20anc3, 4-hydroxy-3,5-dinitro-benzoic acid, #, benzoic acid,4-hydroxy-3,5-dinitro, 4-hydroxy-3,5-dinitrobenzoic acid, 98+% PubChem CID: 70552 IUPAC Name: 4-hydroxy-3,5-dinitrobenzoic acid SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
Alfa Aesar™ 3,4,5-Trimethoxyphenol, 97%
CAS: 642-71-7 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.191 MDL Number: MFCD00008389 InChI Key: VTCDZPUMZAZMSB-UHFFFAOYSA-N Synonym: antiarol, phenol, 3,4,5-trimethoxy, 3,4,5-trimethoxy phenol, spectrum_000525, specplus_000623, spectrum3_001208, spectrum4_001487, spectrum5_000193, 3,4,5-trirnethoxyphenol, 3,4,5-trimethoxy-phenol PubChem CID: 69505 ChEBI: CHEBI:2760 IUPAC Name: 3,4,5-trimethoxyphenol SMILES: COC1=CC(=CC(=C1OC)OC)O
Alfa Aesar™ 4-Hydroxy-3,5-dinitrophenylacetic acid, 97%
CAS: 10463-37-3 Molecular Formula: C8H6N2O7 Molecular Weight (g/mol): 242.143 MDL Number: MFCD00016995 InChI Key: MLVYQQLUGFSXQH-UHFFFAOYSA-N Synonym: 3,5-dinitro-4-hydroxyphenylacetic acid, 4-hydroxy-3,5-dinitrophenyl acetic acid, 4-hydroxy-3,5-dinitrophenylacetic acid, 3,5-dinitro-4-hydroxyphenacetic acid, 4-hydroxy-3,5-dinitro-phenyl-acetic acid, 2-4-hydroxy-3,5-dinitrophenyl acetic acid, 4-hydroxy-3,5-dinitrobenzeneacetic acid, 4-hydroxy-3,5-dinitrophenacetyl, acmc-20anc2, 3,5-dinitro-4-hydroxyphenyl-acetic acid PubChem CID: 98596 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O
Alfa Aesar™ 3,5-Dimethoxyphenol, 98%
CAS: 500-99-2 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD00008388 InChI Key: XQDNFAMOIPNVES-UHFFFAOYSA-N Synonym: taxicatigenin, phenol, 3,5-dimethoxy, phloroglucinol dimethyl ether, 1-hydroxy-3,5-dimethoxybenzene, 3,5-dimethoxy phenol, unii-23uxw8136a, phenol,5-dimethoxy, 3,5-dimethoxy-phenol, pubchem16421, acmc-209kk2 PubChem CID: 10383 IUPAC Name: 3,5-dimethoxyphenol SMILES: COC1=CC(=CC(=C1)O)OC
Alfa Aesar™ 2-Fluoro-6-nitrophenol, 98+%
CAS: 1526-17-6 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00042446 InChI Key: HIGRXCJEFUYRNW-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrophenol, 6-fluoro-2-nitrophenol, phenol, 2-fluoro-6-nitro, 2-nitro-6-fluorophenol, 2-fluoro-6-nitro-phenol, 3-fluoro-2-hydroxynitrobenzene, fluoro-6-nitrophenol, 2, 2-fluoro-6-nitrophen, pubchem10654, 2-fluor-6-nitrophenol PubChem CID: 73710 SMILES: C1=CC(=C(C(=C1)F)O)[N+](=O)[O-]
Alfa Aesar™ 5-Chloro-2-methylphenol, 98%
CAS: 5306-98-9 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00060672 InChI Key: KKFPXGXMSBBNJI-UHFFFAOYSA-N Synonym: 5-chloro-o-cresol, 5-chloro-2-cresol, o-cresol, 5-chloro, phenol, 5-chloro-2-methyl, 3-chloro-6-methylphenol, 2-methyl-5-chlorophenol, 4-chloro-2-hydroxytoluene, 5-chloro-2-methyl-phenol, phenol,5-chloro-2-methyl PubChem CID: 79192 IUPAC Name: 5-chloro-2-methylphenol SMILES: CC1=C(C=C(C=C1)Cl)O
Alfa Aesar™ Resorcinol, 99%
CAS: 108-46-3 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00002269 InChI Key: GHMLBKRAJCXXBS-UHFFFAOYSA-N Synonym: resorcinol, 1,3-benzenediol, resorcin, 1,3-dihydroxybenzene, 3-hydroxyphenol, m-hydroquinone, resorcine, m-dihydroxybenzene, m-hydroxyphenol, m-benzenediol PubChem CID: 5054 ChEBI: CHEBI:27810 IUPAC Name: benzene-1,3-diol SMILES: C1=CC(=CC(=C1)O)O
Alfa Aesar™ 3-Bromo-4-methylphenol, 98%
CAS: 60710-39-6 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD08273793 InChI Key: GMZKNRDHSHYMHG-UHFFFAOYSA-N Synonym: 3-bromo-p-cresol, 2-bromo-4-hydroxytoluene, phenol, 3-bromo-4-methyl, 3-bromo-4-methyl-phenol, 3-brom-p-kresol, acmc-209mlm, 3-bromo-4-methyl phenol, phenol,3-bromo-4-methyl, 3-bromanyl-4-methyl-phenol, ksc494c1p PubChem CID: 10307913 IUPAC Name: 3-bromo-4-methylphenol SMILES: CC1=C(C=C(C=C1)O)Br
Alfa Aesar™ 4-Bromo-3,5-dimethylphenol, 99%
CAS: 7463-51-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00002315 InChI Key: WMUWDPLTTLJNPE-UHFFFAOYSA-N Synonym: 4-bromo-3,5-xylenol, 4-bromo-3,5-dimethyl phenol, phenol, 4-bromo-3,5-dimethyl, 3,5-dimethyl-4-bromophenol, 4-bromo-3,5-dimethyl-phenol, zlchem 241, pubchem3767, acmc-209ovl, 3,5-xylenol, 4-bromo, akos bbb/606 PubChem CID: 81970 IUPAC Name: 4-bromo-3,5-dimethylphenol SMILES: CC1=CC(=CC(=C1Br)C)O
Alfa Aesar™ 3-Fluoro-5-hydroxybenzeneboronic acid, 98%
CAS: 871329-82-7 Molecular Formula: C6H6BFO3 Molecular Weight (g/mol): 155.919 MDL Number: MFCD07363778 InChI Key: RMBFBZIEXCTPDB-UHFFFAOYSA-N Synonym: 3-fluoro-5-hydroxyphenyl boronic acid, 3-fluoro-5-hydroxybenzeneboronic acid, 3-fluoro-5-hydroxy-phenyl boronic acid, 3-fluoro-5-hydroxphenyl boronic acid, 3-hydroxyl-5-fluoro-phenyl-boronic acid, acmc-209qgp, 3-fluoro-5-hydroxyphenyl-boronic acid, 3-fluoranyl-5-oxidanyl-phenyl boronic acid, boronic acid,b-3-fluoro-5-hydroxyphenyl PubChem CID: 44717308 IUPAC Name: (3-fluoro-5-hydroxyphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)O)(O)O
Alfa Aesar™ 2-Chlorohydroquinone, tech. 90%
CAS: 615-67-8 Molecular Formula: C6H5ClO2 Molecular Weight (g/mol): 144.554 MDL Number: MFCD00002341 InChI Key: AJPXTSMULZANCB-UHFFFAOYSA-N Synonym: chlorohydroquinone, 2-chlorohydroquinone, monochlorohydroquinone, chloroquinol, 1,4-benzenediol, 2-chloro, 2-chloro-1,4-benzenediol, hydroquinone, chloro, 2-chloro-1,4-dihydroxybenzene, 2,5-dihydroxychlorobenzene, 1,4-dihydroxy-2-chlorobenzene PubChem CID: 301 ChEBI: CHEBI:27675 IUPAC Name: 2-chlorobenzene-1,4-diol SMILES: C1=CC(=C(C=C1O)Cl)O
Calmagite, Indicator Grade, Pure, ACROS Organics™
CAS: 3147-14-6 Molecular Formula: C17H14N2O5S Molecular Weight (g/mol): 358.368 MDL Number: MFCD00011656 InChI Key: ASFVMSDYPYMUFL-UHFFFAOYSA-N Synonym: 3-Hydroxy-4-(2-hydroxy-5-methylphenylazo)-1-naphthalenesulfonic acid PubChem CID: 6364506 IUPAC Name: 4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid SMILES: CC1=CC(=C(C=C1)O)NN=C2C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O
Alfa Aesar™ 2-Hydroxy-5-methoxybenzaldehyde, 98%
CAS: 672-13-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00003332 InChI Key: FZHSPPYCNDYIKD-UHFFFAOYSA-N Synonym: 5-methoxysalicylaldehyde, m-anisaldehyde, 6-hydroxy, benzaldehyde, 2-hydroxy-5-methoxy, salicylaldehyde, 5-methoxy, 6-hydroxy-m-anisaldehyde, 2-hydroxy-5-methoxy-benzaldehyde, 5-methoxy-2-hydroxybenzaldehyde, 2-hydroxy-5-methoxy benzaldehyde, 2-formyl-4-methoxyphenol, pubchem2649 PubChem CID: 95695 IUPAC Name: 2-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)O)C=O
Alfa Aesar™ 6-Hydroxy-4-methylcoumarin, 99%
CAS: 2373-31-1 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00016967 InChI Key: IRUHWRSITUYICV-UHFFFAOYSA-N Synonym: 6-hydroxy-4-methylcoumarin, 6-hydroxy-4-methyl-2h-chromen-2-one, coumarin, 6-hydroxy-4-methyl, 6-hydroxy-4-methyl-2-benzopyrone, 6-hydroxy-4-methyl-chromen-2-one, 2h-1-benzopyran-2-one, 6-hydroxy-4-methyl, chembl12626, 2h-1-benzopyran-2-one,6-hydroxy-4-methyl, acmc-1cuho, 4-methyl-6-hydroxycoumarin PubChem CID: 75409 IUPAC Name: 6-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=C(C=C2)O
2,3-Dimethylhydroquinone, 97%, Acros Organics™
CAS: 608-43-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00009997 InChI Key: BXJGUBZTZWCMEX-UHFFFAOYSA-N Synonym: 2,3-dimethylhydroquinone, o-xylene-3,6-diol, 2,3-xylohydroquinone, o-xylohydroquinone, 1,4-benzenediol, 2,3-dimethyl, unii-f0l7hg609j, 1,4-dihydroxy-2,3-dimethylbenzene, 3,6-dihydroxy-o-xylene, 2,3-dimethyl-1,4-benzenediol, 2,3-dimethyl hydroquinone PubChem CID: 69100 IUPAC Name: 2,3-dimethylbenzene-1,4-diol SMILES: CC1=C(C=CC(=C1C)O)O
Calix[8]arene, 97%, Alfa Aesar™
CAS: 82452-93-5 Molecular Formula: C56H48O8 Molecular Weight (g/mol): 848.992 MDL Number: MFCD00143914 InChI Key: HDPRHRZFFPXZIL-UHFFFAOYSA-N Synonym: calix 8 arene, calix 8 arene;, p-h-calix 8 arene, octahydroxycalix 8 arene, para-h-calix 8 arene;, calix 8 arene, technical ch, 49,50,51,52,53,54,55,56-octahydroxycalix 8 arene, 49,50,51,52,53,54,55,56-octahydroxycalix 8 arene;, 49,50,51,52,53,54,55,56-octahydroxycalix 8-arene;, 49,50,51,52,53,54,55,56-octakis hydroxy calix 8 arene; PubChem CID: 2724886 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC7=CC=CC(=C7O)CC8=CC=CC(=C8O)CC9=CC=CC1=C9O)O)O)O)O
Alfa Aesar™ 3-(Trifluoromethoxy)phenol, 98%
CAS: 827-99-6 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040987 InChI Key: UWLJERQTLRORJN-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy phenol, m-trifluoromethoxy phenol, phenol, 3-trifluoromethoxy, 3-trifluoromethoxy-phenol, 3-hydroxyphenyl trifluoromethyl ether, pubchem1505, m-trifluoromethoxyphenol, pubchem10391 PubChem CID: 2733261 IUPAC Name: 3-(trifluoromethoxy)phenol SMILES: C1=CC(=CC(=C1)OC(F)(F)F)O
Alfa Aesar™ 4-Hydroxy-1-indanone, 97%
CAS: 40731-98-4 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00143330 InChI Key: CKSCMRNFDBWFND-UHFFFAOYSA-N Synonym: 4-hydroxy-1-indanone, 4-hydroxyindan-1-one, 4-hydroxyindanone, 4-hydroxy-indan-1-one, 4-hydroxy-2,3-dihydro-1h-inden-1-one, 2,3-dihydro-4-hydroxyinden-1-one, 1h-inden-1-one, 2,3-dihydro-4-hydroxy, 2,3-dihydro-4-hydroxy-1h-inden-1-one, 4-hydroxy-indanone, pubchem9659 PubChem CID: 590547 IUPAC Name: 4-hydroxy-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)O
2-chloro-5-methylphenol, 99%, ACROS Organics™
CAS: 615-74-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00002175 InChI Key: SMFHPCZZAAMJJO-UHFFFAOYSA-N Synonym: 6-chloro-m-cresol, phenol, 2-chloro-5-methyl, m-cresol, 6-chloro, 3-methyl-6-chlorophenol, 4-chloro-3-hydroxytoluene, 5-methyl-2-chlorophenol, 6-chloro-3-methylphenol, dsstox_cid_26558, dsstox_rid_81718 PubChem CID: 12008 IUPAC Name: 2-chloro-5-methylphenol SMILES: CC1=CC(=C(C=C1)Cl)O
Alfa Aesar™ 4-Bromo-2-methylphenol, 97%
CAS: 2362-12-1 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00055435 InChI Key: IWJGMJHAIUBWKT-UHFFFAOYSA-N Synonym: 4-bromo-o-cresol, 2-methyl-4-bromophenol, 4-bromo-2-methyl-phenol, o-cresol, 4-bromo, phenol, 4-bromo-2-methyl, 2-hydroxy-5-bromotoluene, p-bromocresol, 4-bromo-cresol, pubchem7106, acmc-1chy8 PubChem CID: 16896 IUPAC Name: 4-bromo-2-methylphenol SMILES: CC1=C(C=CC(=C1)Br)O
Alfa Aesar™ 2,6-Dimethyl-4-nitrophenol, 98%
CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N Synonym: 4-nitro-2,6-xylenol, 2,6-xylenol, 4-nitro, 4-nitro-2,6-dimethylphenol, phenol, 2,6-dimethyl-4-nitro, phenol,2,6-dimethyl-4-nitro, acmc-1cljn, 2, 4-nitro, intermediates-zcf02651, 2,6-dimethyl4-nitrophenol, phenol,6-dimethyl-4-nitro PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
2-Nitroresorcinol, 98%, Acros Organics
CAS: 601-89-8 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007124 InChI Key: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N Synonym: 2-nitroresorcinol, 2-nitrobenzene-1,3-diol, 1,3-benzenediol, 2-nitro, resorcinol, 2-nitro, 2-nitro-1,3-benzenediol, 1,3-dihydroxy-2-nitrobenzene, 1,3-benzenediol, nitro, 2,6-dihydroxynitrobenzene, nitroresorcinol, acmc-209mid PubChem CID: 11760 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])O
3,4-Dihydroxybenzoic acid, 97%, Acros Organics
CAS: 99-50-3 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002509 InChI Key: YQUVCSBJEUQKSH-UHFFFAOYSA-N Synonym: protocatechuic acid, 4-carboxy-1,2-dihydroxybenzene, protocatehuic acid, benzoic acid, 3,4-dihydroxy, protocatechuate, 4,5-dihydroxybenzoic acid, 3,4-dihydroxybenzoicacid, unii-36r5qj8l4b, ccris 6291, chembl37537 PubChem CID: 72 ChEBI: CHEBI:36062 IUPAC Name: 3,4-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)O
Alfa Aesar™ 4-Hydroxyphenylacetic acid, 99%
CAS: 156-38-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00004347 InChI Key: XQXPVVBIMDBYFF-UHFFFAOYSA-N Synonym: 4-hydroxyphenylacetic acid, 2-4-hydroxyphenyl acetic acid, p-hydroxyphenylacetic acid, 4-hydroxyphenyl acetic acid, 4-hydroxyphenylacetate, 4-hydroxybenzeneacetic acid, benzeneacetic acid, 4-hydroxy, p-hydroxyphenyl acetic acid, parahydroxy phenylacetic acid, 4-carboxymethylphenol PubChem CID: 127 ChEBI: CHEBI:18101 IUPAC Name: 2-(4-hydroxyphenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)O