Molecule ID: 45266895

IUPAC Name: 2-phenyl-2-sulfoacetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of alpha-sulfophenylacetic acid. It is a monocarboxylic acid anion and an organosulfonic acid. It is a conjugate base of an alpha-sulfophenylacetic acid.

SMILES: O=C([O-])C(c1ccccc1)S(=O)(=O)O

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

InChI: InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 1.1