SODIUM 5-NITROGUAIACOLATE

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 Search

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

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

Molecular Formula	C7H6NO4
Molecular Weight	168.1268
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Environmental fate of 2,4-dinitroanisole (DNAN) and its reduced products.	2015-01	25460743
Characterization of Rhodococcus wratislaviensis strain J3 that degrades 4-nitrocatechol and other nitroaromatic compounds.	2005-02	15723176
Degradation of 5-nitroguaiacol by soil bacteria of the genus Rhodococcus.	2004	15702555

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:59:19 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:19 GMT 2025`
Record UNII	A1RBP9328O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-NGSS

Preferred Name

English

SODIUM 5-NITROGUAIACOLATE

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

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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

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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

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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

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