ChemSpider 2D Image | (5Z)-5-Nitro-6-phenyl-5-hexen-2-one | C12H13NO3

(5Z)-5-Nitro-6-phenyl-5-hexen-2-one

  • Molecular FormulaC12H13NO3
  • Average mass219.236 Da
  • Monoisotopic mass219.089539 Da
  • ChemSpider ID28520202

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-Nitro-6-phenyl-5-hexen-2-on [German] [ACD/IUPAC Name]
(5Z)-5-Nitro-6-phenyl-5-hexen-2-one [ACD/IUPAC Name]
(5Z)-5-Nitro-6-phényl-5-hexén-2-one [French] [ACD/IUPAC Name]
5-Hexen-2-one, 5-nitro-6-phenyl-, (5Z)- [ACD/Index Name]
877956-10-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 207.4±20.1 °C
Index of Refraction: 1.567
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.96
ACD/KOC (pH 5.5): 406.16
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.96
ACD/KOC (pH 7.4): 406.16
Polar Surface Area: 63 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 189.6±3.0 cm3

Click to predict properties on the Chemicalize site


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