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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10N3O3.Na
Molecular Weight 279.2266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 5-((4-aminophenyl)azo)-2-hydroxy-, monosodium salt

SMILES

[Na+].NC1=CC=C(C=C1)\N=N\C2=CC=C(O)C(=C2)C([O-])=O

InChI

InChIKey=RFIRVJCZAAJILM-GEEYTBSJSA-M
InChI=1S/C13H11N3O3.Na/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19;/h1-7,17H,14H2,(H,18,19);/q;+1/p-1/b16-15+;

HIDE SMILES / InChI

Molecular Formula C13H10N3O3
Molecular Weight 256.2368
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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 19:11:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:41 GMT 2025
Record UNII
SDW2WLM9ET
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-, sodium salt
Preferred Name English
Benzoic acid, 5-((4-aminophenyl)azo)-2-hydroxy-, monosodium salt
Systematic Name English
Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
229-302-2
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
CAS
6470-98-0
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID6064379
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
FDA UNII
SDW2WLM9ET
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE