ChemSpider 2D Image | Ethyl 3-(methoxymethyl)-1H-1,2,4-triazole-5-carboxylate | C7H11N3O3

Ethyl 3-(methoxymethyl)-1H-1,2,4-triazole-5-carboxylate

  • Molecular FormulaC7H11N3O3
  • Average mass185.180 Da
  • Monoisotopic mass185.080048 Da
  • ChemSpider ID29379521

More details:

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

1H-1,2,4-Triazole-5-carboxylic acid, 3-(methoxymethyl)-, ethyl ester [ACD/Index Name]
3-(Méthoxyméthyl)-1H-1,2,4-triazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
329984-04-5 [RN]
Ethyl 3-(methoxymethyl)-1H-1,2,4-triazole-5-carboxylate [ACD/IUPAC Name]
ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
Ethyl-3-(methoxymethyl)-1H-1,2,4-triazol-5-carboxylat [German] [ACD/IUPAC Name]
5-Methoxymethyl-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester
MFCD18344422
MFCD22627351

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 333.1±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.2±28.4 °C
    Index of Refraction: 1.515
    Molar Refractivity: 44.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.04
    ACD/LogD (pH 5.5): 0.31
    ACD/BCF (pH 5.5): 1.02
    ACD/KOC (pH 5.5): 35.22
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.91
    Polar Surface Area: 77 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 147.8±3.0 cm3

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