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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11N3O2
Molecular Weight 193.2025
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid

SMILES

CC1=C(NC(N)=N)C=C(C=C1)C(O)=O

InChI

InChIKey=LOUCXRYJFVLIQI-UHFFFAOYSA-N
InChI=1S/C9H11N3O2/c1-5-2-3-6(8(13)14)4-7(5)12-9(10)11/h2-4H,1H3,(H,13,14)(H4,10,11,12)

HIDE SMILES / InChI

Molecular Formula C9H11N3O2
Molecular Weight 193.2025
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 19:32:23 GMT 2025
Edited
by admin
on Wed Apr 02 19:32:23 GMT 2025
Record UNII
26RC2XP65A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-
Preferred Name English
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
26RC2XP65A
Created by admin on Wed Apr 02 19:32:23 GMT 2025 , Edited by admin on Wed Apr 02 19:32:23 GMT 2025
PRIMARY
CAS
859026-97-4
Created by admin on Wed Apr 02 19:32:23 GMT 2025 , Edited by admin on Wed Apr 02 19:32:23 GMT 2025
PRIMARY
PUBCHEM
50991576
Created by admin on Wed Apr 02 19:32:23 GMT 2025 , Edited by admin on Wed Apr 02 19:32:23 GMT 2025
PRIMARY
Related Record Type Details
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