ChemSpider 2D Image | 6-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate | C28H24O9

6-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID3143856

More details:

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

3,4,5-Triméthoxybenzoate de 6-(1,3-benzodioxol-5-yl)-1,3-diméthyl-4-oxo-4H-cyclohepta[c]furan-8-yle [French] [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl ester [ACD/Index Name]
[6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3,4,5-trimethoxybenzoate
6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate
847847-46-5 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 655.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.3±31.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 130.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.47
    ACD/LogD (pH 5.5): 4.45
    ACD/BCF (pH 5.5): 1406.14
    ACD/KOC (pH 5.5): 6236.74
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 1406.14
    ACD/KOC (pH 7.4): 6236.74
    Polar Surface Area: 103 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 61.6±5.0 dyne/cm
    Molar Volume: 362.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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