ChemSpider 2D Image | 3-(5-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)benzonitrile | C12H8N2O2

3-(5-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)benzonitrile

  • Molecular FormulaC12H8N2O2
  • Average mass212.204 Da
  • Monoisotopic mass212.058578 Da
  • ChemSpider ID30802433

More details:

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

3-(5-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)benzonitril [German] [ACD/IUPAC Name]
3-(5-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)benzonitrile [ACD/IUPAC Name]
3-(5-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)benzonitrile [French] [ACD/IUPAC Name]
3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
Benzonitrile, 3-(1,6-dihydro-5-hydroxy-6-oxo-3-pyridinyl)- [ACD/Index Name]
1333146-11-4 [RN]
28B
5-(3-Cyanophenyl)-3-hydroxypyridin-2(1H)-one (Compound 3)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.0±28.7 °C
Index of Refraction: 1.675
Molar Refractivity: 57.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.33
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 38.62
Polar Surface Area: 73 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 152.0±5.0 cm3

Click to predict properties on the Chemicalize site


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