Molecule ID: 6811

IUPAC Name: 2-benzofuran-1,3-dione

Description: The molecule is the cyclic dicarboxylic anhydride that is the anhydride of phthalic acid. It has a role as an allergen. It is a cyclic dicarboxylic anhydride and a member of 2-benzofurans.

SMILES: O=C1OC(=O)c2ccccc21

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

InChI: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 1.3