ChemSpider 2D Image | (2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-2-propen-1-one | C15H12N2O3

(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-2-propen-1-one

  • Molecular FormulaC15H12N2O3
  • Average mass268.267 Da
  • Monoisotopic mass268.084778 Da
  • ChemSpider ID24725891

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridinyl)-, (2E)- [ACD/Index 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: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.6±30.1 °C
Index of Refraction: 1.696
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 142.37
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.81
ACD/KOC (pH 7.4): 165.12
Polar Surface Area: 74 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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