Molecule ID: 23615187

IUPAC Name: 2-(2-chloro-5-oxofuran-2-yl)acetate

Description: The molecule is the conjugate base of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3. It is a conjugate base of a (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid.

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

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

InChI: InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.9