7,8-dimethoxy-1H-2,3-benzoxazin-1-one

• ChemBase ID: 193931
• Molecular Formular: C10H9NO4
• Molecular Mass: 207.18276
• Monoisotopic Mass: 207.05315777
• SMILES: c12c(=O)oncc2ccc(c1OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1c(=O)onc2
• InChI: InChI=1S/C10H9NO4/c1-13-7-4-3-6-5-11-15-10(12)8(6)9(7)14-2/h3-5H,1-2H3
• InChIKey: KPEBLJUVHUTNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-1H-2,3-benzoxazin-1-one
• IUPAC Traditional name: 7,8-dimethoxy-2,3-benzoxazin-1-one

Database IDs

• PubChem SID: 164249841
• PubChem CID: 906655

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4036516
• LogD (pH = 7.4): 1.4037063
• Log P: 1.403707
• Molar Refractivity: 53.1541 cm^3
• Polarizability: 19.840998 Å^3
• Polar Surface Area: 57.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds