ChemSpider 2D Image | (1R,8S)-(1,8-~2~H_2_)-11-Oxatricyclo[6.2.1.0~2,7~]undeca-2,4,6,9-tetraene | C10H6D2O

(1R,8S)-(1,8-2H2)-11-Oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

  • Molecular FormulaC10H6D2O
  • Average mass146.182 Da
  • Monoisotopic mass146.070068 Da
  • ChemSpider ID73977592

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,8S)-(1,8-2H2)-11-Oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen [German] [ACD/IUPAC Name]
(1R,8S)-(1,8-2H2)-11-Oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene [ACD/IUPAC Name]
(1R,8S)-(1,8-2H2)-11-Oxatricyclo[6.2.1.02,7]undéca-2,4,6,9-tétraène [French] [ACD/IUPAC Name]
1,4-Epoxynaphthalene, 1,4-dihydro-d2-, (1R,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 240.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 93.9±0.0 °C
Index of Refraction: 1.627
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.62
ACD/KOC (pH 5.5): 344.74
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.62
ACD/KOC (pH 7.4): 344.74
Polar Surface Area: 9 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 119.4±3.0 cm3

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