Molecule ID: 28495

IUPAC Name: 2,4-dihydroxy-1,4-benzoxazin-3-one

Description: The molecule is a lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. It has a role as a phytotoxin, a herbicide, an allelochemical and a plant metabolite. It is a benzoxazine, a cyclic hydroxamic acid and a lactol.

SMILES: O=C1C(O)Oc2ccccc2N1O

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

InChI: InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H

Molecular Properties:
- Polar Surface Area: 70.0 Ų
- LogP: 0.0