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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2,131 – 2,145 of 119,722 results

2,131

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4-Methoxybiphenyl, 98+%

CAS: 613-37-6 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00014897 InChI Key: RHDYQUZYHZWTCI-UHFFFAOYSA-N Synonym: 4-methoxybiphenyl,4-phenylanisole,p-methoxybiphenyl,1,1'-biphenyl, 4-methoxy,4-methoxy-1,1'-biphenyl,anisole, p-phenyl,p-phenylanisole,4-methoxy-biphenyl,biphenyl, 4-methoxy,1-methoxy-4-phenyl-benzene PubChem CID: 11943 IUPAC Name: 1-methoxy-4-phenylbenzene SMILES: COC1=CC=C(C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11943
CAS	613-37-6
Molecular Weight (g/mol)	184.24
MDL Number	MFCD00014897
SMILES	COC1=CC=C(C=C1)C1=CC=CC=C1
Synonym	4-methoxybiphenyl,4-phenylanisole,p-methoxybiphenyl,1,1'-biphenyl, 4-methoxy,4-methoxy-1,1'-biphenyl,anisole, p-phenyl,p-phenylanisole,4-methoxy-biphenyl,biphenyl, 4-methoxy,1-methoxy-4-phenyl-benzene
IUPAC Name	1-methoxy-4-phenylbenzene
InChI Key	RHDYQUZYHZWTCI-UHFFFAOYSA-N
Molecular Formula	C13H12O

2,132

Ambrisentan, Thermo Scientific Chemicals

CAS: 177036-94-1 Molecular Formula: C22H22N2O4 Molecular Weight (g/mol): 378.43 InChI Key: OUJTZYPIHDYQMC-UHFFFAOYNA-N IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid SMILES: COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	177036-94-1
Molecular Weight (g/mol)	378.43
SMILES	COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
InChI Key	OUJTZYPIHDYQMC-UHFFFAOYNA-N
Molecular Formula	C22H22N2O4

2,133

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Thermo Scientific Chemicals Amisulpride

CAS: 71675-85-9 Molecular Formula: C₁₇H₂₇N₃O₄S Molecular Weight (g/mol): 369.48 InChI Key: NTJOBXMMWNYJFB-UHFFFAOYSA-N Synonym: amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride PubChem CID: 2159 ChEBI: CHEBI:64045 IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC

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Specifications

PubChem CID	2159
CAS	71675-85-9
Molecular Weight (g/mol)	369.48
ChEBI	CHEBI:64045
SMILES	CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
Synonym	amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
InChI Key	NTJOBXMMWNYJFB-UHFFFAOYSA-N
Molecular Formula	C₁₇H₂₇N₃O₄S

2,134

Anisole, ReagentPlus™, 99%, Solstice

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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Specifications

PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
MDL Number	MFCD00008354
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C7H8O

2,135

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3-Chloro-2-methylanisole, 97%

CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C

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Specifications

PubChem CID	76749
CAS	3260-88-6
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00070772
SMILES	COC1=CC=CC(Cl)=C1C
Synonym	3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa
IUPAC Name	1-chloro-3-methoxy-2-methylbenzene
InChI Key	LTVRGAWOEOKGJZ-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

2,136

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2-Bromo-5-chloroanisole, 98+%

CAS: 174913-09-8 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.478 MDL Number: MFCD03790889 InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N Synonym: 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene PubChem CID: 17984845 IUPAC Name: 1-bromo-4-chloro-2-methoxybenzene SMILES: COC1=C(C=CC(=C1)Cl)Br

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Specifications

PubChem CID	17984845
CAS	174913-09-8
Molecular Weight (g/mol)	221.478
MDL Number	MFCD03790889
SMILES	COC1=C(C=CC(=C1)Cl)Br
Synonym	2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene
IUPAC Name	1-bromo-4-chloro-2-methoxybenzene
InChI Key	CQGYLDZGJLVLMK-UHFFFAOYSA-N
Molecular Formula	C7H6BrClO

2,137

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4-Bromoanisole, 99%

CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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Specifications

PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.036
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

2,138

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2-Fluoro-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1

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Specifications

PubChem CID	2774546
CAS	127667-01-0
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00142921
SMILES	COC1=CC(C#N)=C(F)C=C1
Synonym	2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21
IUPAC Name	2-fluoro-5-methoxybenzonitrile
InChI Key	VBZLRHYLNXWZIU-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

2,139

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4-Methoxyphenylacetic acid, 98+%

CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 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)	166.176
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

2,140

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4-Benzyloxybromobenzene, 97%

CAS: 6793-92-6 Molecular Formula: C₁₃H₁₁BrO Molecular Weight (g/mol): 263.14 InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N Synonym: 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene PubChem CID: 138835 IUPAC Name: 1-bromo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

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Specifications

PubChem CID	138835
CAS	6793-92-6
Molecular Weight (g/mol)	263.14
SMILES	C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
Synonym	4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene
IUPAC Name	1-bromo-4-phenylmethoxybenzene
InChI Key	OUQSGILAXUXMGI-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₁BrO

2,141

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3-Chloro-5-methoxybenzoic acid, 98%

CAS: 82477-67-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.59 MDL Number: MFCD01317994 InChI Key: RRVHCVOVXPMKGF-UHFFFAOYSA-N Synonym: 3-chloro-5-methoxy-benzoic acid,5-chloro-m-anisic acid,3-carboxy-5-chloroanisole,3-chloro-5-methoxybenzoicacid,benzoic acid, 3-chloro-5-methoxy,pubchem14017,acmc-20ac57,ksc447q4j,cs-waa0107,benzoicacid, 3-chloro-5-methoxy PubChem CID: 12909341 IUPAC Name: 3-chloro-5-methoxybenzoic acid SMILES: COC1=CC(Cl)=CC(=C1)C(O)=O

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Specifications

PubChem CID	12909341
CAS	82477-67-6
Molecular Weight (g/mol)	186.59
MDL Number	MFCD01317994
SMILES	COC1=CC(Cl)=CC(=C1)C(O)=O
Synonym	3-chloro-5-methoxy-benzoic acid,5-chloro-m-anisic acid,3-carboxy-5-chloroanisole,3-chloro-5-methoxybenzoicacid,benzoic acid, 3-chloro-5-methoxy,pubchem14017,acmc-20ac57,ksc447q4j,cs-waa0107,benzoicacid, 3-chloro-5-methoxy
IUPAC Name	3-chloro-5-methoxybenzoic acid
InChI Key	RRVHCVOVXPMKGF-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

2,142

Methyle2-chloro-3,4-dimethoxybenzoate, 97%, Thermo Scientific™

CAS: 175136-01-3 Molecular Formula: C10H11ClO4 Molecular Weight (g/mol): 230.644 MDL Number: MFCD00085114 InChI Key: RYYAHUFRPCBHCT-UHFFFAOYSA-N Synonym: maybridge1_001981,benzoic acid,2-chloro-3,4-dimethoxy-, methyl ester PubChem CID: 2774981 IUPAC Name: methyl 2-chloro-3,4-dimethoxybenzoate SMILES: COC1=C(C(=C(C=C1)C(=O)OC)Cl)OC

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Specifications

PubChem CID	2774981
CAS	175136-01-3
Molecular Weight (g/mol)	230.644
MDL Number	MFCD00085114
SMILES	COC1=C(C(=C(C=C1)C(=O)OC)Cl)OC
Synonym	maybridge1_001981,benzoic acid,2-chloro-3,4-dimethoxy-, methyl ester
IUPAC Name	methyl 2-chloro-3,4-dimethoxybenzoate
InChI Key	RYYAHUFRPCBHCT-UHFFFAOYSA-N
Molecular Formula	C10H11ClO4

2,143

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2,3-Dimethoxybenzoic acid, 99%

CAS: 1521-38-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002432 InChI Key: FODBVCSYJKNBLO-UHFFFAOYSA-N Synonym: o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci PubChem CID: 15204 IUPAC Name: 2,3-dimethoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1OC

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Specifications

PubChem CID	15204
CAS	1521-38-6
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002432
SMILES	COC1=CC=CC(C(O)=O)=C1OC
Synonym	o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci
IUPAC Name	2,3-dimethoxybenzoic acid
InChI Key	FODBVCSYJKNBLO-UHFFFAOYSA-N
Molecular Formula	C9H10O4

2,144

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2-Hydroxy-4-methoxybenzoic acid, 98%

CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1

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Specifications

PubChem CID	75231
CAS	2237-36-7
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00002450
SMILES	COC1=CC=C(C(O)=O)C(O)=C1
Synonym	4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b
IUPAC Name	2-hydroxy-4-methoxybenzoic acid
InChI Key	MRIXVKKOHPQOFK-UHFFFAOYSA-N
Molecular Formula	C8H8O4

2,145

4-Amino-3-methoxybenzoic acid, 98%

CAS: 2486-69-3 Molecular Formula: C₈H₉NO₃ Molecular Weight (g/mol): 167.16 MDL Number: MFCD00016539 InChI Key: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonym: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid PubChem CID: 288057 IUPAC Name: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N

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Specifications

PubChem CID	288057
CAS	2486-69-3
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00016539
SMILES	COC1=C(C=CC(=C1)C(=O)O)N
Synonym	4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid
IUPAC Name	4-amino-3-methoxybenzoic acid
InChI Key	JNFGLYJROFAOQP-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₃

Benzene and substituted derivatives

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