Molecule ID: 6597

IUPAC Name: 2,2-dichloroacetic acid

Description: The molecule is an organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. It has a role as an astringent and a marine metabolite. It is a monocarboxylic acid and an organochlorine compound. It derives from an acetic acid. It is a conjugate acid of a dichloroacetate.

SMILES: O=C(O)C(Cl)Cl

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][Cl][Cl]

InChI: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 0.9