ChemSpider 2D Image | 3-Hydroxy(2,2-~2~H_2_)propanenitrile | C3H3D2NO

3-Hydroxy(2,2-2H2)propanenitrile

  • Molecular FormulaC3H3D2NO
  • Average mass73.090 Da
  • Monoisotopic mass73.049667 Da
  • ChemSpider ID48061173

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(2,2-2H2)propanenitrile [ACD/IUPAC Name]
3-Hydroxy(2,2-2H2)propanenitrile [French] [ACD/IUPAC Name]
3-Hydroxy(2,2-2H2)propannitril [German] [ACD/IUPAC Name]
Propanenitrile-2,2-d2, 3-hydroxy- [ACD/Index Name]
2,2-dideuterio-3-hydroxypropanenitrile
78645-87-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 229.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.2±6.0 kJ/mol
Flash Point: 92.7±19.8 °C
Index of Refraction: 1.419
Molar Refractivity: 17.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.45
Polar Surface Area: 44 Å2
Polarizability: 6.9±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 68.9±3.0 cm3

Click to predict properties on the Chemicalize site


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