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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

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

Approval Year

Unknown
149124
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
NIH
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