Molecule ID: 543

IUPAC Name: 2-(carboxymethyl)-5-oxofuran-2-carboxylic acid

Description: The molecule is a 5-oxo-2-furylacetic acid having a carboxy group at the 2-position. It is a furoic acid and a 5-oxo-2-furylacetic acid. It is a conjugate acid of a 2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2-).

SMILES: O=C(O)CC1(C(=O)O)C=CC(=O)O1

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][O][Ring1][=Branch2]

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

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -0.7