ChemSpider 2D Image | Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate] | C30H28O12

Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate]

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID34496517

More details:

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

1,4-Cyclohexadiene-1,4-dipropanoic acid, β,β'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dihydroxy-3,6-dioxo-, dimethyl ester [ACD/Index Name]
3,3'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate] de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate] [ACD/IUPAC Name]
Dimethyl-3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoat] [German] [ACD/IUPAC Name]
1676079-22-3 [RN]
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoate)
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-oxopropyl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]propanoate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 758.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.9±3.0 kJ/mol
    Flash Point: 247.8±26.4 °C
    Index of Refraction: 1.638
    Molar Refractivity: 141.5±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.50
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 69.2±3.0 dyne/cm
    Molar Volume: 393.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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