ChemSpider 2D Image | (1R,5S)-8-(~2~H_3_)Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | C9H10D3NO2

(1R,5S)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC9H10D3NO2
  • Average mass170.223 Da
  • Monoisotopic mass170.113464 Da
  • ChemSpider ID76920185

  • 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,5S)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-(methyl-d3)-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S)-8-(2H3)méthyl-8-azabicyclo[3.2.1]oct-2-ène-2-carboxylique [French] [ACD/IUPAC 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: 305.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 138.5±24.6 °C
Index of Refraction: 1.558
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 41 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 137.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement