Molecule ID: 9543220

IUPAC Name: 2-(5-oxo-2-sulfofuran-2-yl)acetic acid

Description: The molecule is an organosulfonic acid that consists of 5-oxo-2-furylacetic acid bearing a sulfo group at position 2. It has a role as a mouse metabolite. It is an organosulfonic acid and a 5-oxo-2-furylacetic acid.

SMILES: O=C(O)CC1(S(=O)(=O)O)C=CC(=O)O1

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch2]

InChI: InChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -1.4