Molecule ID: 49791961

IUPAC Name: 2-(carboxylatomethyl)-5-oxidofuran-3-carboxylate

Description: The molecule is trianion of 2-(carboxymethyl)-5-oxo-2,5-dihydro-3-furoic acid arising from deprotonation of the two carboxy groups as well as removal of the acidic proton at C2; major species at pH 7.3. It is a conjugate base of a 2-(carboxymethyl)-5-oxo-2,5-dihydro-3-furoic acid.

SMILES: O=C([O-])Cc1oc([O-])cc1C(=O)[O-]

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

InChI: InChI=1S/C7H6O6/c8-5(9)2-4-3(7(11)12)1-6(10)13-4/h1,10H,2H2,(H,8,9)(H,11,12)/p-3

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: 1.9