ChemSpider 2D Image | Ethyl 3-(3,4-dimethoxyphenyl)-7-[(3-methoxybenzoyl)oxy]-4-oxo-4H-chromene-2-carboxylate | C28H24O9

Ethyl 3-(3,4-dimethoxyphenyl)-7-[(3-methoxybenzoyl)oxy]-4-oxo-4H-chromene-2-carboxylate

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID1182044

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(3,4-Diméthoxyphényl)-7-[(3-méthoxybenzoyl)oxy]-4-oxo-4H-chromène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-2-carboxylic acid, 3-(3,4-dimethoxyphenyl)-7-[(3-methoxybenzoyl)oxy]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(3,4-dimethoxyphenyl)-7-[(3-methoxybenzoyl)oxy]-4-oxo-4H-chromene-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-(3,4-dimethoxyphenyl)-7-[(3-methoxybenzoyl)oxy]-4-oxo-4H-chromen-2-carboxylat [German] [ACD/IUPAC Name]
3-(3,4-dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 3-methoxybenzoate
3-(3,4-Dimethoxy-phenyl)-7-(3-methoxy-benzoyloxy)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
610758-95-7 [RN]
ethyl 3-(3,4-dimethoxyphenyl)-7-(3-methoxybenzoyl)oxy-4-oxochromene-2-carboxylate
ethyl 3-(3,4-dimethoxyphenyl)-7-{[(3-methoxyphenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 662.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.4±3.0 kJ/mol
    Flash Point: 281.8±31.5 °C
    Index of Refraction: 1.595
    Molar Refractivity: 131.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 4.78
    ACD/BCF (pH 5.5): 2536.79
    ACD/KOC (pH 5.5): 9514.43
    ACD/LogD (pH 7.4): 4.78
    ACD/BCF (pH 7.4): 2536.79
    ACD/KOC (pH 7.4): 9514.43
    Polar Surface Area: 107 Å2
    Polarizability: 52.1±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 386.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement