ChemSpider 2D Image | (2E)-3-(1H-Imidazol-1-yl)acrylaldehyde | C6H6N2O

(2E)-3-(1H-Imidazol-1-yl)acrylaldehyde

  • Molecular FormulaC6H6N2O
  • Average mass122.125 Da
  • Monoisotopic mass122.048012 Da
  • ChemSpider ID15165479

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(1H-Imidazol-1-yl)acrylaldehyd [German] [ACD/IUPAC Name]
(2E)-3-(1H-Imidazol-1-yl)acrylaldehyde [ACD/IUPAC Name]
(2E)-3-(1H-Imidazol-1-yl)acrylaldéhyde [French] [ACD/IUPAC Name]
2-Propenal, 3-(1H-imidazol-1-yl)-, (2E)- [ACD/Index Name]
(E)-3-(1H-imidazol-1-yl)acrylaldehyde
21431-75-4 [RN]
2-Propenal,3-(1H-imidazol-1-yl)-
3-(1H-Imidazol-1-yl)acrylaldehyde [ACD/IUPAC Name]
3-(IMIDAZOL-1-YL)PROP-2-ENAL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 285.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 126.2±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 35.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.43
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.23
Polar Surface Area: 35 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 113.1±7.0 cm3

Click to predict properties on the Chemicalize site


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