U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2O2
Molecular Weight 164.1613
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(AMINOIMINOMETHYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=WPNGNBVDEYRVGT-UHFFFAOYSA-N
InChI=1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H8N2O2
Molecular Weight 164.1613
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4HDD4R2AEW
Record Status Validated (UNII)
Record Version