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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6NO4.Na
Molecular Weight 191.1166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 5-NITROGUAIACOLATE

SMILES

[Na+].COC1=CC=C(C=C1[O-])[N+]([O-])=O

InChI

InChIKey=KBRKFTKQRMYINW-UHFFFAOYSA-M
InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Environmental fate of 2,4-dinitroanisole (DNAN) and its reduced products.
2015-01
Characterization of Rhodococcus wratislaviensis strain J3 that degrades 4-nitrocatechol and other nitroaromatic compounds.
2005-02
Degradation of 5-nitroguaiacol by soil bacteria of the genus Rhodococcus.
2004
Patents
Name Type Language
5-NGSS
Preferred Name English
SODIUM 5-NITROGUAIACOLATE
INCI  
INCI  
Official Name English
SODIUM 2-METHOXY-5-NITROPHENOLATE
Systematic Name English
SODIUM 2-METHOXY-5-NITROPHENOXIDE
Systematic Name English
PHENOL, 2-METHOXY-5-NITRO-, SODIUM SALT (1:1)
Common Name English
ATONIK
Brand Name English
5-NITROGUAIACOL, SODIUM SALT
Common Name English
2-METHOXY-5-NITROPHENOL, SODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
A1RBP9328O
Created by admin on Mon Mar 31 19:59:19 GMT 2025 , Edited by admin on Mon Mar 31 19:59:19 GMT 2025
PRIMARY
CAS
67233-85-6
Created by admin on Mon Mar 31 19:59:19 GMT 2025 , Edited by admin on Mon Mar 31 19:59:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID0035790
Created by admin on Mon Mar 31 19:59:19 GMT 2025 , Edited by admin on Mon Mar 31 19:59:19 GMT 2025
PRIMARY
PUBCHEM
3017748
Created by admin on Mon Mar 31 19:59:19 GMT 2025 , Edited by admin on Mon Mar 31 19:59:19 GMT 2025
PRIMARY