CAS 619-14-7 | 3-Hydroxy-4-nitrobenzoic acid | CAS Number 619-14-7

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619-14-7 | 3-Hydroxy-4-nitrobenzoic acid

CAS No: 619-14-7 Catalog No: AG003JJY MDL No:MFCD00007110

Product Description

Catalog Number:

AG003JJY

Chemical Name:

3-Hydroxy-4-nitrobenzoic acid

CAS Number:

619-14-7

Molecular Formula:

C7H5NO5

Molecular Weight:

183.1183

MDL Number:

MFCD00007110

IUPAC Name:

3-hydroxy-4-nitrobenzoic acid

InChI:

InChI=1S/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)

InChI Key:

XLDLRRGZWIEEHT-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(c(c1)O)N(=O)=O

EC Number:

210-580-9

NSC Number:

46823

Properties

Complexity:

223

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:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Inhibitory Effects of Conjugated Epicatechin Metabolites on Peroxynitrite-mediated Nitrotyrosine Formation.	Journal of clinical biochemistry and nutrition 20080101
Selective detection of 2-nitrobenzenesulfenyl-labeled peptides by matrix-assisted laser desorption/ionization-time of flight mass spectrometry using a novel matrix.	Proteomics 20060401