ChemSpider 2D Image | 3-Nitro-1,2-oxazol-4(5H)-one | C3H2N2O4

3-Nitro-1,2-oxazol-4(5H)-one

  • Molecular FormulaC3H2N2O4
  • Average mass130.059 Da
  • Monoisotopic mass130.001450 Da
  • ChemSpider ID67031089

More details:

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

3-Nitro-1,2-oxazol-4(5H)-on [German] [ACD/IUPAC Name]
3-Nitro-1,2-oxazol-4(5H)-one [ACD/IUPAC Name]
3-Nitro-1,2-oxazol-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Isoxazolone, 3-nitro- [ACD/Index Name]
nitroisoxazolinone

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

Density: 2.0±0.1 g/cm3
Boiling Point: 238.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 97.8±22.6 °C
Index of Refraction: 1.675
Molar Refractivity: 24.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.04
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.04
Polar Surface Area: 84 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 94.3±7.0 dyne/cm
Molar Volume: 65.9±7.0 cm3

Click to predict properties on the Chemicalize site


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