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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4NO2.Na
Molecular Weight 145.0912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenol, 4-nitroso-, sodium salt

SMILES

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

InChI

InChIKey=NAGJRPZQLWHEHH-UHFFFAOYSA-M
InChI=1S/C6H5NO2.Na/c8-6-3-1-5(7-9)2-4-6;/h1-4,8H;/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 C6H4NO2
Molecular Weight 122.1015
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Environment influences on the aromatic character of nucleobases and amino acids.
2010-11
Predicting activation enthalpies of cytochrome-P450-mediated hydrogen abstractions. 2. Comparison of semiempirical PM3, SAM1, and AM1 with a density functional theory method.
2009-07
Intramolecular hydrogen-bonding interactions in 2-nitrosophenol and nitrosonaphthols: ab initio, density functional, and nuclear magnetic resonance theoretical study.
2007-08-02
Generation of cyanide ion by the reaction of phenol with nitrous acid in wastewater.
2003-05
Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations.
2003-04-24
Correlation between fluidising effects on phospholipid membranes and mitochondrial respiration of propofol and p-nitrosophenol homologues.
2003-03-25
The Mechanism by which 4-hydroxy-2,2,6,6-tetramethylpiperidene-1-oxyl (tempol) diverts peroxynitrite decomposition from nitrating to nitrosating species.
2002-04
Phenol photonitration upon UV irradiation of nitrite in aqueous solution I: effects of oxygen and 2-propanol.
2001-11
Patents
Substance Class Chemical
Created
by admin
on Tue Apr 01 19:44:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:07 GMT 2025
Record UNII
D2NS6RG33D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, 4-nitroso-, sodium salt
Common Name English
Phenol, 4-nitroso-, sodium salt (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
23677962
Created by admin on Tue Apr 01 19:44:07 GMT 2025 , Edited by admin on Tue Apr 01 19:44:07 GMT 2025
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EPA CompTox
DTXSID9061176
Created by admin on Tue Apr 01 19:44:07 GMT 2025 , Edited by admin on Tue Apr 01 19:44:07 GMT 2025
PRIMARY
CAS
823-87-0
Created by admin on Tue Apr 01 19:44:07 GMT 2025 , Edited by admin on Tue Apr 01 19:44:07 GMT 2025
PRIMARY
FDA UNII
D2NS6RG33D
Created by admin on Tue Apr 01 19:44:07 GMT 2025 , Edited by admin on Tue Apr 01 19:44:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-522-8
Created by admin on Tue Apr 01 19:44:07 GMT 2025 , Edited by admin on Tue Apr 01 19:44:07 GMT 2025
PRIMARY