N-(3-Carboxyphenyl)nicotinamide 1-oxide

3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid

CAS: 62833-95-8

Molecular Formula	`C13H10N2O4`
Molecular Weight	258.23 g/mol
LogP	0.2
Topological Polar Surface Area	91.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	258.06406
Heavy Atoms	19
Complexity	348.0

Chemical Identifiers

CAS Number	62833-95-8
SMILES	`C1=CC(=CC(=C1)NC(=O)C2=C[N+](=CC=C2)[O-])C(=O)O`
InChIKey	`QNLBGYALRQFXIA-UHFFFAOYSA-N`

📖 Product Overview

N-(3-Carboxyphenyl)nicotinamide 1-oxide (CAS: 62833-95-8) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.23 g/mol. Its IUPAC systematic name is 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid. LogP 0.2 Topological Polar Surface Area 91.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 258.06406 Heavy Atoms 19 Complexity 348.0 InChI Key: QNLBGYALRQFXIA-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)NC(=O)C2=C[N+](=CC=C2)[O-])C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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