Molecule ID: 21145098

IUPAC Name: 2-(2,4-dichloro-5-oxofuran-2-yl)acetate

Description: The molecule is the conjugate base of 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid; major species at pH 7.3. It is a monocarboxylic acid anion and an organochlorine compound. It derives from a but-2-en-4-olide. It is a conjugate base of a 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid.

SMILES: O=C([O-])CC1(Cl)C=C(Cl)C(=O)O1

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

InChI: InChI=1S/C6H4Cl2O4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.7