ChemSpider 2D Image | 3-[(5-Oxo-2,5-dihydro-3-furanyl)ethynyl]benzonitrile | C13H7NO2

3-[(5-Oxo-2,5-dihydro-3-furanyl)ethynyl]benzonitrile

  • Molecular FormulaC13H7NO2
  • Average mass209.200 Da
  • Monoisotopic mass209.047684 Da
  • ChemSpider ID83788968

More details:

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

3-[(5-Oxo-2,5-dihydro-3-furanyl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
3-[(5-Oxo-2,5-dihydro-3-furanyl)ethynyl]benzonitrile [ACD/IUPAC Name]
3-[(5-Oxo-2,5-dihydro-3-furanyl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[2-(2,5-dihydro-5-oxo-3-furanyl)ethynyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 206.3±15.5 °C
Index of Refraction: 1.628
Molar Refractivity: 56.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.12
ACD/KOC (pH 5.5): 276.80
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.12
ACD/KOC (pH 7.4): 276.80
Polar Surface Area: 50 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 159.5±5.0 cm3

Click to predict properties on the Chemicalize site


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