ChemSpider 2D Image | (5R)-5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one | C12H12N2O3

(5R)-5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one

  • Molecular FormulaC12H12N2O3
  • Average mass232.235 Da
  • Monoisotopic mass232.084793 Da
  • ChemSpider ID113057666

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(5R)-5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(5R)-5-Méthyl-3-(3-nitro-4-pyridinyl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-methyl-3-(3-nitro-4-pyridinyl)-, (5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 385.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.1±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.76
ACD/KOC (pH 5.5): 215.37
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.77
ACD/KOC (pH 7.4): 215.46
Polar Surface Area: 76 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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