Molecule ID: 54690913

IUPAC Name: 6-carboxy-2-oxo-3-(3-oxopropyl)-1H-pyridin-4-olate

Description: The molecule is a pyridinemonocarboxylate that is the conjugate base of 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid. It is a conjugate base of a 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid.

SMILES: O=CCCc1c([O-])cc(C(=O)O)nc1O

SELFIES: [O][=C][C][C][C][=C][Branch1][C][O-1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C9H9NO5/c11-3-1-2-5-7(12)4-6(9(14)15)10-8(5)13/h3-4H,1-2H2,(H,14,15)(H2,10,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -0.3