ChemSpider 2D Image | (6aR)-7,11b-Dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol | C16H14O6

(6aR)-7,11b-Dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID21106443

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6aR)-7,11b-Dihydroindeno[2,1-c]chromen-3,4,6a,9,10(6H)-pentol [German] [ACD/IUPAC Name]
(6aR)-7,11b-Dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol [ACD/IUPAC Name]
(6aR)-7,11b-Dihydroindéno[2,1-c]chromène-3,4,6a,9,10(6H)-pentol [French] [ACD/IUPAC Name]
Benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-, (6aR)- [ACD/Index Name]
(6aR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
1212487-43-8 [RN]
517-28-2 [RN]
MFCD00078111 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 579.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.3±3.0 kJ/mol
    Flash Point: 304.5±30.1 °C
    Index of Refraction: 1.810
    Molar Refractivity: 76.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.76
    ACD/KOC (pH 5.5): 72.00
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 2.68
    ACD/KOC (pH 7.4): 69.97
    Polar Surface Area: 110 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 108.1±3.0 dyne/cm
    Molar Volume: 176.8±3.0 cm3

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