ChemSpider 2D Image | (6E)-4-Methyl-6-(5-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-2,4-cyclohexadien-1-one | C16H14N2O

(6E)-4-Methyl-6-(5-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-2,4-cyclohexadien-1-one

  • Molecular FormulaC16H14N2O
  • Average mass250.295 Da
  • Monoisotopic mass250.110611 Da
  • ChemSpider ID57448435
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E)-4-Methyl-6-(5-phenyl-1,2-dihydro-3H-pyrazol-3-yliden)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-4-Methyl-6-(5-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-4-Méthyl-6-(5-phényl-1,2-dihydro-3H-pyrazol-3-ylidène)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-(1,2-dihydro-5-phenyl-3H-pyrazol-3-ylidene)-4-methyl-, (6E)- [ACD/Index Name]
VRT-532

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 146.2±28.0 °C
Index of Refraction: 1.634
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 9.70
ACD/KOC (pH 5.5): 116.03
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.07
ACD/KOC (pH 7.4): 491.13
Polar Surface Area: 41 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 206.7±3.0 cm3

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