ChemSpider 2D Image | Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate | C24H22O8

Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

  • Molecular FormulaC24H22O8
  • Average mass438.427 Da
  • Monoisotopic mass438.131470 Da
  • ChemSpider ID24600709

More details:

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

{7-[2-(3,4-Dihydro-2H-1,5-benzodioxépin-7-yl)-2-oxoéthoxy]-4-méthyl-2-oxo-2H-chromén-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetic acid, 7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate [ACD/IUPAC Name]
Methyl-{7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetat [German] [ACD/IUPAC Name]
1144478-90-9 [RN]
methyl 2-[7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 642.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.8±3.0 kJ/mol
    Flash Point: 277.8±31.5 °C
    Index of Refraction: 1.578
    Molar Refractivity: 111.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.25
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 472.98
    ACD/KOC (pH 5.5): 2859.27
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 472.98
    ACD/KOC (pH 7.4): 2859.27
    Polar Surface Area: 97 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 337.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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