ChemSpider 2D Image | Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate | C28H24O9

Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID29772643

More details:

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

1,4-Benzodioxin-6-propanoic acid, β-(5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-2,3-dihydro-8-methoxy-, methyl ester [ACD/Index Name]
3-(5,7-Dihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)-3-(8-méthoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoat [German] [ACD/IUPAC Name]
1574479-36-9 [RN]
methyl 3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 696.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 233.8±25.0 °C
    Index of Refraction: 1.639
    Molar Refractivity: 130.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 488.40
    ACD/KOC (pH 5.5): 2828.20
    ACD/LogD (pH 7.4): 2.86
    ACD/BCF (pH 7.4): 49.20
    ACD/KOC (pH 7.4): 284.88
    Polar Surface Area: 121 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 362.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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