methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate

CAS: 65101-47-5

Molecular Formula	`C14H12N2O4`
Molecular Weight	272.26 g/mol
LogP	1.1
Topological Polar Surface Area	80.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	272.0797
Heavy Atoms	20
Complexity	353.0

Chemical Identifiers

CAS Number	65101-47-5
SMILES	`COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=[N+](C=C2)[O-]`
InChIKey	`BGNZWWWPWYCJCC-UHFFFAOYSA-N`

📖 Product Overview

methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate (CAS: 65101-47-5) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.26 g/mol. Its IUPAC systematic name is methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate. LogP 1.1 Topological Polar Surface Area 80.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 272.0797 Heavy Atoms 20 Complexity 353.0 InChI Key: BGNZWWWPWYCJCC-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=[N+](C=C2)[O-].

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