Molecule ID: 85689

IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Description: The molecule is a cyclic dicarboxylic anhydride that is the cyclic anhydride of hexahydrophthalic acid. It has a role as an allergen. It is a cyclic dicarboxylic anhydride and a tetrahydrofurandione.

SMILES: O=C1OC(=O)C2CCCCC12

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

InChI: InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 1.2