Molecule ID: 6043

IUPAC Name: 3H-1,3-benzoxazol-2-one

Description: The molecule is a member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. It has a role as an allelochemical and a phytoalexin.

SMILES: Oc1nc2ccccc2o1

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

InChI: InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 1.2