Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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2,311 – 2,325 of 57,280 results

2,311

3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C₁₁H₁₄O₅ Molecular Weight (g/mol): 226.23 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

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Specifications

PubChem CID	70372
CAS	951-82-6
Molecular Weight (g/mol)	226.23
MDL Number	MFCD00004336
SMILES	COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym	3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key	DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₅

2,312

3-Chloroanisole, 98+%

CAS: 2845-89-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000591 InChI Key: YUKILTJWFRTXGB-UHFFFAOYSA-N Synonym: 3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride PubChem CID: 17833 IUPAC Name: 1-chloro-3-methoxybenzene SMILES: COC1=CC(=CC=C1)Cl

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Specifications

PubChem CID	17833
CAS	2845-89-8
Molecular Weight (g/mol)	142.582
MDL Number	MFCD00000591
SMILES	COC1=CC(=CC=C1)Cl
Synonym	3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride
IUPAC Name	1-chloro-3-methoxybenzene
InChI Key	YUKILTJWFRTXGB-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

2,313

2,4-Dichloroanisole, 99%

CAS: 553-82-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00044772 InChI Key: CICQUFBZCADHHX-UHFFFAOYSA-N Synonym: 2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j PubChem CID: 11119 IUPAC Name: 2,4-dichloro-1-methoxybenzene SMILES: COC1=CC=C(Cl)C=C1Cl

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Specifications

PubChem CID	11119
CAS	553-82-2
Molecular Weight (g/mol)	177.02
MDL Number	MFCD00044772
SMILES	COC1=CC=C(Cl)C=C1Cl
Synonym	2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j
IUPAC Name	2,4-dichloro-1-methoxybenzene
InChI Key	CICQUFBZCADHHX-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O

2,314

3-Methylanisole, 99%

CAS: 100-84-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008395 InChI Key: OSIGJGFTADMDOB-UHFFFAOYSA-N Synonym: 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether PubChem CID: 7530 IUPAC Name: 1-methoxy-3-methylbenzene SMILES: COC1=CC=CC(C)=C1

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Specifications

PubChem CID	7530
CAS	100-84-5
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00008395
SMILES	COC1=CC=CC(C)=C1
Synonym	3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether
IUPAC Name	1-methoxy-3-methylbenzene
InChI Key	OSIGJGFTADMDOB-UHFFFAOYSA-N
Molecular Formula	C8H10O

2,315

2-Bromo-4-methoxyphenylacetic acid, 97%

CAS: 66916-99-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD02664700 InChI Key: XQELSBAAFMYSMG-UHFFFAOYSA-N Synonym: 2-bromo-4-methoxyphenylacetic acid,2-2-bromo-4-methoxyphenyl acetic acid,2-bromo-4-methoxyphenyl acetic acid,benzeneacetic acid, 2-bromo-4-methoxy,2-bromo-4-methoxyphenylacetci acid,pubchem3983,2-2-bromo-4-methoxy-phenyl acetic acid,benzeneacetic acid,2-bromo-4-methoxy,2-bromo-4-methoxy-phenyl-acetic acid PubChem CID: 3963668 IUPAC Name: 2-(2-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=CC(Br)=C(CC(O)=O)C=C1

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Specifications

PubChem CID	3963668
CAS	66916-99-2
Molecular Weight (g/mol)	245.07
MDL Number	MFCD02664700
SMILES	COC1=CC(Br)=C(CC(O)=O)C=C1
Synonym	2-bromo-4-methoxyphenylacetic acid,2-2-bromo-4-methoxyphenyl acetic acid,2-bromo-4-methoxyphenyl acetic acid,benzeneacetic acid, 2-bromo-4-methoxy,2-bromo-4-methoxyphenylacetci acid,pubchem3983,2-2-bromo-4-methoxy-phenyl acetic acid,benzeneacetic acid,2-bromo-4-methoxy,2-bromo-4-methoxy-phenyl-acetic acid
IUPAC Name	2-(2-bromo-4-methoxyphenyl)acetic acid
InChI Key	XQELSBAAFMYSMG-UHFFFAOYSA-N
Molecular Formula	C9H9BrO3

2,316

3-Fluoroanisole, 98%, Thermo Scientific™

CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1

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Specifications

PubChem CID	9975
CAS	456-49-5
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00000335
SMILES	COC1=CC=CC(F)=C1
Synonym	3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name	1-fluoro-3-methoxybenzene
InChI Key	MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

2,317

2,5-Dichloroanisole, 98%

CAS: 1984-58-3 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00061123 InChI Key: QKMNFFSBZRGHDJ-UHFFFAOYSA-N Synonym: 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 PubChem CID: 16125 IUPAC Name: 1,4-dichloro-2-methoxybenzene SMILES: COC1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	16125
CAS	1984-58-3
Molecular Weight (g/mol)	177.02
MDL Number	MFCD00061123
SMILES	COC1=CC(Cl)=CC=C1Cl
Synonym	2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452
IUPAC Name	1,4-dichloro-2-methoxybenzene
InChI Key	QKMNFFSBZRGHDJ-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O

2,318

3-Methoxyphenylacetic acid, 97%

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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Specifications

PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

2,319

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

2,320

4-Methoxyphenyl chloroformate, 98%

CAS: 7693-41-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00013258 InChI Key: CCFSGQKTSBIIHG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate PubChem CID: 82128 IUPAC Name: (4-methoxyphenyl) carbonochloridate SMILES: COC1=CC=C(C=C1)OC(=O)Cl

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Specifications

PubChem CID	82128
CAS	7693-41-6
Molecular Weight (g/mol)	186.591
MDL Number	MFCD00013258
SMILES	COC1=CC=C(C=C1)OC(=O)Cl
Synonym	4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate
IUPAC Name	(4-methoxyphenyl) carbonochloridate
InChI Key	CCFSGQKTSBIIHG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

2,321

1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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Specifications

PubChem CID	69301
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
MDL Number	MFCD00008385
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula	C9H12O3

2,322

3-Bromoanisole, 99+%

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

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Specifications

PubChem CID	16971
CAS	2398-37-0
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00000081
SMILES	COC1=CC=CC(Br)=C1
Synonym	3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name	1-bromo-3-methoxybenzene
InChI Key	PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

2,323

4-(4-Methoxyphenyl)butyric acid, 98%

CAS: 4521-28-2 Molecular Formula: C₁₁H₁₄O₃ Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	78280
CAS	4521-28-2
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00004404
SMILES	COC1=CC=C(C=C1)CCCC(=O)O
Synonym	4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid
IUPAC Name	4-(4-methoxyphenyl)butanoic acid
InChI Key	LZHMNCJMXQKSBY-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₃

2,324

3-(2-Methoxyphenyl)-1H-pyrazole, 97%

CAS: 59843-63-9 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD02091524 InChI Key: KLPGJCMICASHKV-UHFFFAOYSA-N Synonym: 3-2-methoxyphenyl-1h-pyrazole,5-2-methoxyphenyl-1h-pyrazole,1h-pyrazole, 3-2-methoxyphenyl,3-2-methoxy-phenyl-1h-pyrazole,3-2-methoxyphenyl pyrazole,2-1h-pyrazol-3-yl anisole,2-methoxy-1-pyrazol-3-ylbenzene PubChem CID: 2736764 IUPAC Name: 5-(2-methoxyphenyl)-1H-pyrazole SMILES: COC1=CC=CC=C1C2=CC=NN2

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Specifications

PubChem CID	2736764
CAS	59843-63-9
Molecular Weight (g/mol)	174.203
MDL Number	MFCD02091524
SMILES	COC1=CC=CC=C1C2=CC=NN2
Synonym	3-2-methoxyphenyl-1h-pyrazole,5-2-methoxyphenyl-1h-pyrazole,1h-pyrazole, 3-2-methoxyphenyl,3-2-methoxy-phenyl-1h-pyrazole,3-2-methoxyphenyl pyrazole,2-1h-pyrazol-3-yl anisole,2-methoxy-1-pyrazol-3-ylbenzene
IUPAC Name	5-(2-methoxyphenyl)-1H-pyrazole
InChI Key	KLPGJCMICASHKV-UHFFFAOYSA-N
Molecular Formula	C10H10N2O

2,325

o-Anisic acid, 99%

CAS: 579-75-9 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O

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Specifications

PubChem CID	11370
CAS	579-75-9
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:421840
MDL Number	MFCD00002431
SMILES	COC1=CC=CC=C1C(=O)O
Synonym	o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid
IUPAC Name	2-methoxybenzoic acid
InChI Key	ILUJQPXNXACGAN-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

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