4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one

• ChemBase ID: 311472
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=O)C)cccc3
• Canonical SMILES: CC(=O)COc1ccc2c(c1C)oc(=O)c1c2cccc1
• InChI: InChI=1S/C17H14O4/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h3-8H,9H2,1-2H3
• InChIKey: VNVLPLZRLNYOQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one
• Synonyms: 4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one

Database IDs

• CAS Number: 307551-49-1
• MDL Number: MFCD02081431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0886865
• LogD (pH = 7.4): 3.0886865
• Log P: 3.0886865
• Molar Refractivity: 78.0792 cm^3
• Polarizability: 31.143858 Å^3
• Polar Surface Area: 52.6 Å^2