ChemSpider 2D Image | 4'-Cyano-4-biphenylyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate | C27H22N2O4

4'-Cyano-4-biphenylyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate

  • Molecular FormulaC27H22N2O4
  • Average mass438.475 Da
  • Monoisotopic mass438.157959 Da
  • ChemSpider ID30658310

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 4'-cyano[1,1'-biphenyl]-4-yl ester [ACD/Index Name]
4'-Cyan-4-biphenylyl-7-(diethylamino)-2-oxo-2H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
4'-Cyano-4-biphenylyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate [ACD/IUPAC Name]
7-(Diéthylamino)-2-oxo-2H-chromène-3-carboxylate de 4'-cyano-4-biphénylyle [French] [ACD/IUPAC 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: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8489.77
ACD/KOC (pH 5.5): 22577.28
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8504.87
ACD/KOC (pH 7.4): 22617.42
Polar Surface Area: 80 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

Click to predict properties on the Chemicalize site


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