ChemSpider 2D Image | 3-(Benzoyloxy)-8-(~2~H_3_)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid | C16H16D3NO4

3-(Benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

  • Molecular FormulaC16H16D3NO4
  • Average mass292.345 Da
  • Monoisotopic mass292.150238 Da
  • ChemSpider ID27523967
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(Benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
3-(Benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(methyl-d3)- [ACD/Index Name]
Acide 3-(benzoyloxy)-8-(2H3)méthyl-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC Name]
1329840-60-9 [RN]
Benzoylecgonine-d3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 442.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.4±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 67 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 223.1±5.0 cm3

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