7-(acetyloxy)-6-methoxy-2-oxo-2H-chromen-8-yl acetate

• ChemBase ID: 186724
• Molecular Formular: C14H12O7
• Molecular Mass: 292.24088
• Monoisotopic Mass: 292.05830272
• SMILES: c1(c(c(cc2c1oc(=O)cc2)OC)OC(=O)C)OC(=O)C
• Canonical SMILES: COc1cc2ccc(=O)oc2c(c1OC(=O)C)OC(=O)C
• InChI: InChI=1S/C14H12O7/c1-7(15)19-13-10(18-3)6-9-4-5-11(17)21-12(9)14(13)20-8(2)16/h4-6H,1-3H3
• InChIKey: CQPIRZNBGXJOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(acetyloxy)-6-methoxy-2-oxo-2H-chromen-8-yl acetate
• IUPAC Traditional name: 7-(acetyloxy)-6-methoxy-2-oxochromen-8-yl acetate

Database IDs

• PubChem SID: 164242634
• PubChem CID: 716141

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8402103
• LogD (pH = 7.4): 0.8402103
• Log P: 0.8402103
• Molar Refractivity: 70.2766 cm^3
• Polarizability: 27.221025 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds