ChemSpider 2D Image | (2Z)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one | C16H12O3

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one

  • Molecular FormulaC16H12O3
  • Average mass252.265 Da
  • Monoisotopic mass252.078644 Da
  • ChemSpider ID21473747
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-phenyl-, (2Z)- [ACD/Index Name]
3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
644-34-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 193.4±15.1 °C
Index of Refraction: 1.650
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.95
ACD/KOC (pH 5.5): 1220.26
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.95
ACD/KOC (pH 7.4): 1220.26
Polar Surface Area: 36 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 201.0±3.0 cm3

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