ChemSpider 2D Image | 3,5-Dinitro-2,6(1H,3H)-pyridinedione | C5H3N3O6

3,5-Dinitro-2,6(1H,3H)-pyridinedione

  • Molecular FormulaC5H3N3O6
  • Average mass201.094 Da
  • Monoisotopic mass201.002182 Da
  • ChemSpider ID95655733

More details:

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

2,6(1H,3H)-Pyridinedione, 3,5-dinitro- [ACD/Index Name]
3,5-Dinitro-2,6(1H,3H)-pyridindion [German] [ACD/IUPAC Name]
3,5-Dinitro-2,6(1H,3H)-pyridinedione [ACD/IUPAC Name]
3,5-Dinitro-2,6(1H,3H)-pyridinedione [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 531.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.4±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 38.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 113.6±5.0 cm3

Click to predict properties on the Chemicalize site


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