BENZOIC ACID, 3-((4-PYRIDINYLCARBONYL)AMINO)-, N-OXIDE

4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid

CAS: 62833-96-9

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	332.0

Chemical Identifiers

CAS Number	62833-96-9
SMILES	`C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=[N+](C=C2)[O-]`
InChIKey	`MDBUUKNNYXYBSL-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3-((4-PYRIDINYLCARBONYL)AMINO)-, N-OXIDE (CAS: 62833-96-9) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.23 g/mol. Its IUPAC systematic name is 4-[(1-oxidopyridin-1-ium-4-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 332.0 InChI Key: MDBUUKNNYXYBSL-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=[N+](C=C2)[O-].

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