Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.1094 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC=C(C=C1)N=O
InChI
InChIKey=JSTCPNFNKICNNO-UHFFFAOYSA-N
InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.1094 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:00:03 GMT 2025
by
admin
on
Mon Mar 31 19:00:03 GMT 2025
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| Record UNII |
55EB58H2UP
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| Record Status |
Validated (UNII)
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| Record Version |
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C028992
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104-91-6
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203-251-6
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m7999
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7729
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55EB58H2UP
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DTXSID0025991
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