4-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-9-yl acetate

• ChemBase ID: 217066
• Molecular Formular: C15H12O6
• Molecular Mass: 288.25218
• Monoisotopic Mass: 288.0633881
• SMILES: c12c(c(c3c(c1OC)cco3)OC(=O)C)oc(cc2=O)C
• Canonical SMILES: COc1c2c(=O)cc(oc2c(c2c1cco2)OC(=O)C)C
• InChI: InChI=1S/C15H12O6/c1-7-6-10(17)11-12(18-3)9-4-5-19-13(9)15(14(11)20-7)21-8(2)16/h4-6H,1-3H3
• InChIKey: HOHZJKQBJXVZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-9-yl acetate
• IUPAC Traditional name: 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl acetate

Database IDs

• PubChem SID: 164272976
• PubChem CID: 8016506

CALCULATED PROPERTIES

• Acid pKa: 14.557463
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4802663
• LogD (pH = 7.4): 1.4802663
• Log P: 1.4802663
• Molar Refractivity: 73.5439 cm^3
• Polarizability: 28.82199 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds