ChemSpider 2D Image | 2-Hydroxy(~2~H_4_)benzonitrile | C7HD4NO

2-Hydroxy(2H4)benzonitrile

  • Molecular FormulaC7HD4NO
  • Average mass123.145 Da
  • Monoisotopic mass123.062218 Da
  • ChemSpider ID58780381

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Hydroxy(2H4)benzonitril [German] [ACD/IUPAC Name]
2-Hydroxy(2H4)benzonitrile [ACD/IUPAC Name]
2-Hydroxy(2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,4,5-d4, 6-hydroxy- [ACD/Index 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: 273.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 109.6±22.6 °C
Index of Refraction: 1.591
Molar Refractivity: 32.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.74
ACD/KOC (pH 5.5): 149.62
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 56.75
Polar Surface Area: 44 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 97.3±5.0 cm3

Click to predict properties on the Chemicalize site


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