ChemSpider 2D Image | Ethyl 4-oxo-4,5-dihydro-1,2,5-oxadiazole-3-carboxylate | C5H6N2O4

Ethyl 4-oxo-4,5-dihydro-1,2,5-oxadiazole-3-carboxylate

  • Molecular FormulaC5H6N2O4
  • Average mass158.112 Da
  • Monoisotopic mass158.032761 Da
  • ChemSpider ID23978554

More details:

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

1,2,5-Oxadiazole-3-carboxylic acid, 4,5-dihydro-4-oxo-, ethyl ester [ACD/Index Name]
4-Oxo-4,5-dihydro-1,2,5-oxadiazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
753486-85-0 [RN]
Ethyl 4-oxo-4,5-dihydro-1,2,5-oxadiazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-4,5-dihydro-1,2,5-oxadiazol-3-carboxylat [German] [ACD/IUPAC Name]
1,2,5-oxadiazole, OXD7
1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID 4,5-DIHYDRO-4-OXO-,ETHYL ESTER
1,2,5-Oxadiazole-3-carboxylic acid, 4,5-dihydro-4-oxo-, ethyl ester (9CI)
ethyl 4-oxo-5H-1,2,5-oxadiazole-3-carboxylate
MFCD13175088

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 231.4±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.7±3.0 kJ/mol
    Flash Point: 93.8±28.2 °C
    Index of Refraction: 1.504
    Molar Refractivity: 33.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.09
    ACD/KOC (pH 5.5): 137.33
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.81
    Polar Surface Area: 85 Å2
    Polarizability: 13.1±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 111.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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