Molecule ID: 23657951

IUPAC Name: 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoate

Description: The molecule is a 4-oxo monocarboxylic acid anion that is the conjugate base of 4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid.

SMILES: O=C(O)CCC(=O)c1ccc([O-])nc1

SELFIES: [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O-1][N][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: -0.3