ChemSpider 2D Image | (3E)-4-(4-Cyanophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid | C20H12N2O3

(3E)-4-(4-Cyanophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid

  • Molecular FormulaC20H12N2O3
  • Average mass328.321 Da
  • Monoisotopic mass328.084778 Da
  • ChemSpider ID22837890

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(2-Chinolinyl)-4-(4-cyanphenyl)-2-oxo-3-butensäure [German] [ACD/IUPAC Name]
(3E)-4-(4-Cyanophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid [ACD/IUPAC Name]
2-Quinolinepropanoic acid, β-[(4-cyanophenyl)methylene]-α-oxo-, (βE)- [ACD/Index Name]
Acide (3E)-4-(4-cyanophényl)-2-oxo-3-(2-quinoléinyl)-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 236.2±5.0 cm3

Click to predict properties on the Chemicalize site


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