ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate | C32H32O9

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC32H32O9
  • Average mass560.591 Da
  • Monoisotopic mass560.204651 Da
  • ChemSpider ID1385608

More details:

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

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-méthyl-4-oxo-6-propyl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-1-benzopyran-7-yl ester [ACD/Index Name]
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] 3,4,5-trimethoxybenzoate
3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl 3,4,5-trimethoxybenzoate
3,4,5-Trimethoxy-benzoic acid 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl ester
618389-16-5 [RN]
AC1LWKN5
AGN-PC-0K8V9U
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 682.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.1±3.0 kJ/mol
    Flash Point: 285.7±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 150.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 7.40
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5821.13
    ACD/KOC (pH 5.5): 17241.86
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5821.13
    ACD/KOC (pH 7.4): 17241.86
    Polar Surface Area: 99 Å2
    Polarizability: 59.5±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 448.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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