Molecule ID: 3016472

IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione

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

SMILES: CC12CCCCC1C(=O)OC2=O

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

InChI: InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 1.5