CAS 2453-41-0 | Benzenecarboperoxoic acid, 3-nitro- | CAS Number 2453-41-0

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2453-41-0 | Benzenecarboperoxoic acid, 3-nitro-

CAS No: 2453-41-0 Catalog No: AG002OFM MDL No:

Product Description

Catalog Number:

AG002OFM

Chemical Name:

Benzenecarboperoxoic acid, 3-nitro-

CAS Number:

2453-41-0

Molecular Formula:

C7H5NO5

Molecular Weight:

183.1183

IUPAC Name:

3-nitrobenzenecarboperoxoic acid

InChI:

InChI=1S/C7H5NO5/c9-7(13-12)5-2-1-3-6(4-5)8(10)11/h1-4,12H

InChI Key:

OQOXQGCYFYSFRH-UHFFFAOYSA-N

SMILES:

OOC(=O)c1cccc(c1)[N+](=O)[O-]

Properties

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.119g/mol

Monoisotopic Mass:

183.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Chemical preconditioning-induced reactive astrocytosis contributes to the reduction of post-ischemic edema through aquaporin-4 downregulation.	Experimental neurology 20110101
Transition state differences in hydrolysis reactions of alkyl versus aryl phosphate monoester monoanions.	Journal of the American Chemical Society 20031029