ChemSpider 2D Image | 5-Nitro-2,4-dihydro-3H-pyrazol-3-one | C3H3N3O3

5-Nitro-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC3H3N3O3
  • Average mass129.074 Da
  • Monoisotopic mass129.017441 Da
  • ChemSpider ID60788155

More details:

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

3H-Pyrazol-3-one, 2,4-dihydro-5-nitro- [ACD/Index Name]
5-Nitro-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
5-Nitro-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Nitro-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
145092-08-6 [RN]
MFCD20228955

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 26.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.92
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.26
Polar Surface Area: 87 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 106.4±7.0 dyne/cm
Molar Volume: 64.1±7.0 cm3

Click to predict properties on the Chemicalize site


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