Molecule ID: 44146649

IUPAC Name: 2-chloro-2-(5-oxo-2H-furan-2-yl)acetic acid

Description: The molecule is a 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group. It has a role as a bacterial xenobiotic metabolite. It is a 5-oxo-2-furylacetic acid and a chlorocarboxylic acid. It derives from a 5-oxo-2,5-dihydro-2-furylacetic acid. It is a conjugate acid of a 5-chloromuconolactone(1-).

SMILES: O=C1C=CC(C(Cl)C(=O)O)O1

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

InChI: InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 0.5