ChemSpider 2D Image | (3-Nitro-1,2-oxazole-4,5-diyl)dimethanol | C5H6N2O5

(3-Nitro-1,2-oxazole-4,5-diyl)dimethanol

  • Molecular FormulaC5H6N2O5
  • Average mass174.111 Da
  • Monoisotopic mass174.027664 Da
  • ChemSpider ID61920138

More details:

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

(3-Nitro-1,2-oxazol-4,5-diyl)dimethanol [German] [ACD/IUPAC Name]
(3-Nitro-1,2-oxazole-4,5-diyl)dimethanol [ACD/IUPAC Name]
(3-Nitro-1,2-oxazole-4,5-diyl)diméthanol [French] [ACD/IUPAC Name]
4,5-Isoxazoledimethanol, 3-nitro- [ACD/Index Name]
1599443-62-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 457.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.4±27.3 °C
Index of Refraction: 1.604
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.14
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 112 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 104.9±3.0 cm3

Click to predict properties on the Chemicalize site


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