CAS 20031-38-3 | Phenol, 3-nitroso- | CAS Number 20031-38-3

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20031-38-3 | Phenol, 3-nitroso-

CAS No: 20031-38-3 Catalog No: AG002COL MDL No:

Product Description

Catalog Number:

AG002COL

Chemical Name:

Phenol, 3-nitroso-

CAS Number:

20031-38-3

Molecular Formula:

C6H5NO2

Molecular Weight:

123.1094

IUPAC Name:

3-nitrosophenol

InChI:

InChI=1S/C6H5NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,8H

InChI Key:

LHISAEQORNEGAX-UHFFFAOYSA-N

SMILES:

O=Nc1cccc(c1)O

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

123.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

123.111g/mol

Monoisotopic Mass:

123.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Importance of phenols structure on their activity as antinitrosating agents: A kinetic study.	Journal of pharmacy & bioallied sciences 20110101
Characterization of catabolic meta-nitrophenol nitroreductase from Cupriavidus necator JMP134.	Applied microbiology and biotechnology 20100801
Tyrosine iminoxyl radical formation from tyrosyl radical/nitric oxide and nitrosotyrosine.	The Journal of biological chemistry 20011207