Molecule ID: 68108

IUPAC Name: isochromen-1-one

Description: The molecule is the simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. It derives from a hydride of a 1H-isochromene.

SMILES: O=c1occc2ccccc12

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

InChI: InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 1.9