ChemSpider 2D Image | (1R,2S,6R,7S)-2-Methyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C9H10O4

(1R,2S,6R,7S)-2-Methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC9H10O4
  • Average mass182.173 Da
  • Monoisotopic mass182.057907 Da
  • ChemSpider ID32697090

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,6R,7S)-2-Methyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,2S,6R,7S)-2-Methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,2S,6R,7S)-2-Méthyl-4,10-dioxatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a-methyl-, (3aS,4R,7S,7aR)- [ACD/Index Name]
56-25-7 [RN]
Cantharidin [Wiki]
MFCD00134968 [MDL number]
RN8575000

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 339.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 154.1±26.0 °C
    Index of Refraction: 1.548
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.38
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.79
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.79
    Polar Surface Area: 53 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 129.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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