Molecule ID: 5280721

IUPAC Name: (2Z)-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid

Description: The molecule is the trans-isomer of 2-chloro-4-carboxymethylenebut-2-en-1,4-olide. It is a 2-chloro-4-carboxymethylenebut-2-en-1,4-olide and a chlorodienelactone. It derives from a trans-4-carboxymethylenebut-2-en-4-olide. It is a conjugate acid of a trans-2-chloro-4-carboxylatomethylenebut-2-en-1,4-olide(1-).

SMILES: O=C(O)/C=C1/C=C(Cl)C(=O)O1

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

InChI: InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2-

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 0.9