4-Methylphthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8O4
Molecular Weight	180.1574
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methylphthalic acid

Structure Search

SMILES

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

InChI

InChIKey=CWJJAFQCTXFSTA-UHFFFAOYSA-N

InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C9H8O4
Molecular Weight	180.1574
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 19:23:18 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:18 GMT 2025`
Record UNII	RDR8D8Q6WG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Methylphthalic acid

Systematic Name

English

NSC-83573

Preferred Name

English

Phthalic acid, 4-methyl-

Systematic Name

English

4-Methyl-o-phthalate

Common Name

English

1,2-Benzenedicarboxylic acid, 4-methyl-

Systematic Name

English

4-Methyl-1,2-benzenedicarboxylic acid

Systematic Name

English

Code System Code Type Description

NSC

83573

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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PUBCHEM

20310

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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FDA UNII

RDR8D8Q6WG

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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EPA CompTox

DTXSID4063406

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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CAS

4316-23-8

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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ECHA (EC/EINECS)

224-333-8

Created by admin on Tue Apr 01 19:23:18 GMT 2025 , Edited by admin on Tue Apr 01 19:23:18 GMT 2025

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