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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2O2
Molecular Weight 162.1454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-3-cyanobenzoic acid

SMILES

NC1=CC=C(C=C1C#N)C(O)=O

InChI

InChIKey=SCDUHKOJSMYVPO-UHFFFAOYSA-N
InChI=1S/C8H6N2O2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,10H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6N2O2
Molecular Weight 162.1454
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 13:10:08 GMT 2025
Edited
by admin
on Wed Apr 02 13:10:08 GMT 2025
Record UNII
AGL5HZL9PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 4-amino-3-cyano-
Preferred Name English
4-Amino-3-cyanobenzoic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40434446
Created by admin on Wed Apr 02 13:10:09 GMT 2025 , Edited by admin on Wed Apr 02 13:10:09 GMT 2025
PRIMARY
CAS
74192-47-5
Created by admin on Wed Apr 02 13:10:09 GMT 2025 , Edited by admin on Wed Apr 02 13:10:09 GMT 2025
PRIMARY
PUBCHEM
10034907
Created by admin on Wed Apr 02 13:10:09 GMT 2025 , Edited by admin on Wed Apr 02 13:10:09 GMT 2025
PRIMARY
FDA UNII
AGL5HZL9PF
Created by admin on Wed Apr 02 13:10:09 GMT 2025 , Edited by admin on Wed Apr 02 13:10:09 GMT 2025
PRIMARY