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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO4
Molecular Weight 181.1455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Aminophthalic acid

SMILES

NC1=CC=C(C(O)=O)C(=C1)C(O)=O

InChI

InChIKey=OXSANYRLJHSQEP-UHFFFAOYSA-N
InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C8H7NO4
Molecular Weight 181.1455
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 17:36:56 GMT 2025
Edited
by admin
on Tue Apr 01 17:36:56 GMT 2025
Record UNII
TZ6K337ZYS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Aminophthalic acid
Systematic Name English
NSC-15742
Preferred Name English
1,2-Benzenedicarboxylic acid, 4-amino-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID8063880
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
PRIMARY
PUBCHEM
72912
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
PRIMARY
CAS
5434-21-9
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
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NSC
15742
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-596-4
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
PRIMARY
FDA UNII
TZ6K337ZYS
Created by admin on Tue Apr 01 17:36:56 GMT 2025 , Edited by admin on Tue Apr 01 17:36:56 GMT 2025
PRIMARY