Molecule ID: 21123017

IUPAC Name: 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

Description: The molecule is the conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid; major species at pH 7.3. It is a conjugate base of a 1,4,5,6-tetrahydro-6-oxonicotinic acid.

SMILES: O=C(O)C1=CN=C([O-])CC1

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

InChI: InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: -0.2