3,4-Dimethylbenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10O2
Molecular Weight	150.1745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-Dimethylbenzoic acid

Structure Search

SMILES

CC1=C(C)C=C(C=C1)C(O)=O

InChI

InChIKey=OPVAJFQBSDUNQA-UHFFFAOYSA-N

InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H10O2
Molecular Weight	150.1745
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:16:40 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:40 GMT 2025`
Record UNII	Z2TCZ088AV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOIC ACID, 3,4-DIMETHYL-

Preferred Name

English

3,4-Dimethylbenzoic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

210-576-7

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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CHEBI

64818

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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FDA UNII

Z2TCZ088AV

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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CAS

619-04-5

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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PUBCHEM

12073

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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EPA CompTox

DTXSID5060693

Created by admin on Tue Apr 01 19:16:40 GMT 2025 , Edited by admin on Tue Apr 01 19:16:40 GMT 2025

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