Molecule ID: 21145065

IUPAC Name: 3-(4-hydroxy-3-iodophenyl)-2-oxopropanoate

Description: The molecule is a phenylpyruvate derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. It derives from a pyruvic acid. It is a conjugate base of a 4-hydroxy-3-iodophenylpyruvic acid.

SMILES: O=C(O)C(=O)Cc1ccc([O-])c(I)c1

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

InChI: InChI=1S/C9H7IO4/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,11H,4H2,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 2.2