Molecule ID: 413605

IUPAC Name: 2-phenyl-2-sulfoacetic acid

Description: The molecule is an member of the class of phenylacetic acids that is phenylacetic acid in which one of the hydrogens alpha- to the carboxy group has been replaced by a sulfo group. It is an organosulfonic acid and a member of phenylacetic acids. It derives from a phenylacetic acid. It is a conjugate acid of an alpha-sulfophenylacetate.

SMILES: O=C(O)C(c1ccccc1)S(=O)(=O)O

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

Molecular Properties:
- Polar Surface Area: 100.0 Ų
- LogP: 0.4