Molecule ID: 7021185

IUPAC Name: 4-oxo-4-pyridin-3-ylbutanoate

Description: The molecule is a carboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-oxo-4-(pyridin-3-yl)butanoic acid. The major species at pH 7.3. It is a conjugate base of a 4-oxo-4-(pyridin-3-yl)butanoic acid.

SMILES: O=C([O-])CCC(=O)c1cccnc1

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

InChI: InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 0.5