ChemSpider 2D Image | Ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate | C7H10N2O3

Ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate

  • Molecular FormulaC7H10N2O3
  • Average mass170.166 Da
  • Monoisotopic mass170.069138 Da
  • ChemSpider ID24597896

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-ethyl-, ethyl ester [ACD/Index Name]
1245645-77-5 [RN]
5-Éthyl-1,2,4-oxadiazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-ethyl-1,2,4-oxadiazol-3-carboxylat [German] [ACD/IUPAC Name]
DS-15559
Ethyl5-ethyl-1,2,4-oxadiazole-3-carboxylate
ETHYL-5-ETHYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE
MFCD17011733 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 254.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.2±3.0 kJ/mol
    Flash Point: 107.5±22.6 °C
    Index of Refraction: 1.470
    Molar Refractivity: 40.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.74
    ACD/KOC (pH 5.5): 71.71
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.74
    ACD/KOC (pH 7.4): 71.71
    Polar Surface Area: 65 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 145.9±3.0 cm3

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