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Details

Stereochemistry RACEMIC
Molecular Formula C10H9NO6
Molecular Weight 239.1816
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DCPG, (RS)-

SMILES

NC(C(O)=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O

InChI

InChIKey=IJVMOGKBEVRBPP-UHFFFAOYSA-N
InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)

HIDE SMILES / InChI

Molecular Formula C10H9NO6
Molecular Weight 239.1816
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:34:24 GMT 2025
Edited
by admin
on Wed Apr 02 14:34:24 GMT 2025
Record UNII
DBV4GQ2NM4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R,S)-3,4-Dicarboxyphenylglycine
Preferred Name English
3,4-DCPG, (RS)-
Common Name English
4-(Aminocarboxymethyl)-1,2-benzenedicarboxylic acid (
Systematic Name English
(RS)-3,4-DCPG
Common Name English
1,2-Benzenedicarboxylic acid, 4-(aminocarboxymethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
DBV4GQ2NM4
Created by admin on Wed Apr 02 14:34:24 GMT 2025 , Edited by admin on Wed Apr 02 14:34:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID00391364
Created by admin on Wed Apr 02 14:34:24 GMT 2025 , Edited by admin on Wed Apr 02 14:34:24 GMT 2025
PRIMARY
CAS
176796-64-8
Created by admin on Wed Apr 02 14:34:24 GMT 2025 , Edited by admin on Wed Apr 02 14:34:24 GMT 2025
PRIMARY
PUBCHEM
3313698
Created by admin on Wed Apr 02 14:34:24 GMT 2025 , Edited by admin on Wed Apr 02 14:34:24 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE