ChemSpider 2D Image | Ethyl 5-amino-3-oxo-1,2-oxazole-2(3H)-carboxylate | C6H8N2O4

Ethyl 5-amino-3-oxo-1,2-oxazole-2(3H)-carboxylate

  • Molecular FormulaC6H8N2O4
  • Average mass172.139 Da
  • Monoisotopic mass172.048401 Da
  • ChemSpider ID32510144

More details:

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

2(3H)-Isoxazolecarboxylic acid, 5-amino-3-oxo-, ethyl ester [ACD/Index Name]
5-Amino-3-oxo-1,2-oxazole-2(3H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-3-oxo-1,2-oxazole-2(3H)-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-3-oxo-1,2-oxazol-2(3H)-carboxylat [German] [ACD/IUPAC Name]
1630763-79-9 [RN]
AKOS025141828
ethyl 5-amino-3-oxo-1,2-oxazole-2-carboxylate
ethyl 5-amino-3-oxo-2,3-dihydro-1,2-oxazole-2-carboxylate
ethyl 5-amino-3-oxoisoxazole-2(3H)-carboxylate
MFCD28142561
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 236.4±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.3±3.0 kJ/mol
    Flash Point: 96.8±28.2 °C
    Index of Refraction: 1.542
    Molar Refractivity: 37.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.86
    ACD/LogD (pH 7.4): -0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.89
    Polar Surface Area: 82 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 120.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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