ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate | C30H28O8

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

  • Molecular FormulaC30H28O8
  • Average mass516.539 Da
  • Monoisotopic mass516.178406 Da
  • ChemSpider ID1445779

More details:

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

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl-3,4-dimethoxybenzoat [German] [ACD/IUPAC Name]
3,4-Diméthoxybenzoate de 3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-6-éthyl-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dimethoxy-, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate
3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl 3,4-dimethoxybenzoate
3,4-Dimethoxy-benzoic acid 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl ester
618389-59-6 [RN]
AC1LY6WP
AGN-PC-0K9TVN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AF-399/41883943 [DBID]
ZINC02235961 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 712.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.2±3.0 kJ/mol
    Flash Point: 301.2±32.9 °C
    Index of Refraction: 1.596
    Molar Refractivity: 138.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.91
    ACD/LogD (pH 5.5): 5.34
    ACD/BCF (pH 5.5): 6758.97
    ACD/KOC (pH 5.5): 19187.55
    ACD/LogD (pH 7.4): 5.34
    ACD/BCF (pH 7.4): 6758.97
    ACD/KOC (pH 7.4): 19187.55
    Polar Surface Area: 90 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 408.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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