1,3-Benzenedicarboxylic acid, 1-methyl ester

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 1,3-Benzenedicarboxylic acid, 1-methyl ester

Structure Search

SMILES

COC(=O)C1=CC=CC(=C1)C(O)=O

InChI

InChIKey=WMZNGTSLFSJHMZ-UHFFFAOYSA-N

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

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 `Wed Apr 02 17:56:29 GMT 2025` Edited by `admin` on `Wed Apr 02 17:56:29 GMT 2025`
Record UNII	2PQ3SEG88M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Benzenedicarboxylic acid, 1-methyl ester

Systematic Name

English

3-(Methoxycarbonyl)benzoic acid

Preferred Name

English

Methyl 3-carboxybenzoate

Systematic Name

English

Isophthalic acid, monomethyl ester

Systematic Name

English

Isophthalic acid, methyl ester

Systematic Name

English

3-Carbomethoxybenzoic acid

Systematic Name

English

Methyl hydrogen isophthalate

Systematic Name

English

Methyl m-phthalate

Systematic Name

English

Monomethyl isophthalate

Systematic Name

English

Code System Code Type Description

FDA UNII

2PQ3SEG88M

Created by admin on Wed Apr 02 17:56:29 GMT 2025 , Edited by admin on Wed Apr 02 17:56:29 GMT 2025

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PUBCHEM

601880

Created by admin on Wed Apr 02 17:56:29 GMT 2025 , Edited by admin on Wed Apr 02 17:56:29 GMT 2025

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EPA CompTox

DTXSID00345100

Created by admin on Wed Apr 02 17:56:29 GMT 2025 , Edited by admin on Wed Apr 02 17:56:29 GMT 2025

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CAS

1877-71-0

Created by admin on Wed Apr 02 17:56:29 GMT 2025 , Edited by admin on Wed Apr 02 17:56:29 GMT 2025

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