ChemSpider 2D Image | 4-Hydroxy-1-(3-pyridinyl)-1-(3,3-~2~H_2_)butanone | C9H9D2NO2

4-Hydroxy-1-(3-pyridinyl)-1-(3,3-2H2)butanone

  • Molecular FormulaC9H9D2NO2
  • Average mass167.202 Da
  • Monoisotopic mass167.091537 Da
  • ChemSpider ID8279056

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butanone-3,3-d2, 4-hydroxy-1-(3-pyridinyl)- [ACD/Index Name]
4-Hydroxy-1-(3-pyridinyl)-1-(3,3-2H2)butanon [German] [ACD/IUPAC Name]
4-Hydroxy-1-(3-pyridinyl)-1-(3,3-2H2)butanone [ACD/IUPAC Name]
4-Hydroxy-1-(3-pyridinyl)-1-(3,3-2H2)butanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 162.8±22.3 °C
Index of Refraction: 1.537
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.28
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.41
Polar Surface Area: 50 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 144.7±3.0 cm3

Click to predict properties on the Chemicalize site


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