ChemSpider 2D Image | Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(1-methyl-1H-pyrazol-4-yl)propanoate] | C22H24N4O8

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

  • Molecular FormulaC22H24N4O8
  • Average mass472.448 Da
  • Monoisotopic mass472.159424 Da
  • ChemSpider ID34496610

More details:

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

1,4-Cyclohexadiene-1,4-dipropanoic acid, 2,5-dihydroxy-β,β'-bis(1-methyl-1H-pyrazol-4-yl)-3,6-dioxo-, dimethyl ester [ACD/Index Name]
3,3'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)bis[3-(1-méthyl-1H-pyrazol-4-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-(1-methyl-1H-pyrazol-4-yl)propanoate] [ACD/IUPAC Name]
Dimethyl-3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis[3-(1-methyl-1H-pyrazol-4-yl)propanoat] [German] [ACD/IUPAC Name]
1676072-79-9 [RN]
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-(1-methyl-1H-pyrazol-4-yl)propanoate)
methyl 3-[2,5-dihydroxy-4-[3-methoxy-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-(1-methylpyrazol-4-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: 697.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 375.9±31.5 °C
    Index of Refraction: 1.643
    Molar Refractivity: 117.5±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 1.07
    ACD/LogD (pH 5.5): -3.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 163 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 56.1±7.0 dyne/cm
    Molar Volume: 325.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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