ChemSpider 2D Image | Ethyl 5-nitro-4,5-dihydro-1,2-oxazole-3-carboxylate | C6H8N2O5

Ethyl 5-nitro-4,5-dihydro-1,2-oxazole-3-carboxylate

  • Molecular FormulaC6H8N2O5
  • Average mass188.138 Da
  • Monoisotopic mass188.043320 Da
  • ChemSpider ID24197298

More details:

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

3-Isoxazolecarboxylic acid, 4,5-dihydro-5-nitro-, ethyl ester [ACD/Index Name]
5-Nitro-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-nitro-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-nitro-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
155088-39-4 [RN]
3-Isoxazolecarboxylic acid, 4,5-dihydro-5-nitro-, ethyl ester (9CI)
3-Isoxazolecarboxylicacid,4,5-dihydro-5-nitro-,ethylester(9CI)
ethyl 5-nitro-4,5-dihydroisoxazole-3-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 293.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.2±28.2 °C
Index of Refraction: 1.577
Molar Refractivity: 39.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 120.1±7.0 cm3

Click to predict properties on the Chemicalize site


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