Molecule ID: 54718173

IUPAC Name: 5-carboxy-4-(hydroxymethyl)-2-methylpyridin-3-olate

Description: The molecule is a pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group. It derives from a nicotinate. It is a conjugate base of a 5-pyridoxic acid.

SMILES: Cc1ncc(C(=O)O)c(CO)c1[O-]

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

InChI: InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 93.5 Ų
- LogP: 0.7