ChemSpider 2D Image | 4-(4-Oxo-4H-chromen-2-yl)benzonitrile | C16H9NO2

4-(4-Oxo-4H-chromen-2-yl)benzonitrile

  • Molecular FormulaC16H9NO2
  • Average mass247.248 Da
  • Monoisotopic mass247.063324 Da
  • ChemSpider ID22178234

More details:

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

4-(4-Oxo-4H-chromen-2-yl)benzonitril [German] [ACD/IUPAC Name]
4-(4-Oxo-4H-chromen-2-yl)benzonitrile [ACD/IUPAC Name]
4-(4-Oxo-4H-chromén-2-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- [ACD/Index Name]
1UZ
4-(4-OXOCHROMEN-2-YL)BENZONITRILE
55736-88-4 [RN]
Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)
BENZONITRILE,4-(4-OXO-4H-1-BENZOPYRAN-2-YL)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 433.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 189.5±18.9 °C
Index of Refraction: 1.667
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.44
ACD/KOC (pH 5.5): 1312.91
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.44
ACD/KOC (pH 7.4): 1312.91
Polar Surface Area: 50 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 186.5±5.0 cm3

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