ChemSpider 2D Image | (1S,4R)-(3,3-~2~H_2_)Bicyclo[2.2.1]heptan-2-one | C7H8D2O

(1S,4R)-(3,3-2H2)Bicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC7H8D2O
  • Average mass112.166 Da
  • Monoisotopic mass112.085716 Da
  • ChemSpider ID107449109

  • 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

(1S,4R)-(3,3-2H2)Bicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,4R)-(3,3-2H2)Bicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,4R)-(3,3-2H2)Bicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one-3,3-d2, (1S,4R)- [ACD/Index Name]
18153-61-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 170.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 33.9±0.0 °C
Index of Refraction: 1.511
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 90.29
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 90.29
Polar Surface Area: 17 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 101.7±3.0 cm3

Click to predict properties on the Chemicalize site


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