ChemSpider 2D Image | 2,2-Dimethyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropanecarboxylic acid | C9H12N4O3

2,2-Dimethyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropanecarboxylic acid

  • Molecular FormulaC9H12N4O3
  • Average mass224.217 Da
  • Monoisotopic mass224.090942 Da
  • ChemSpider ID28471878

More details:

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

2,2-Dimethyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 2,2-diméthyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1H-1,2,4-triazol-3-ylamino)carbonyl]- [ACD/Index Name]
1324062-50-1 [RN]
2,2-dimethyl-3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.649
    Molar Refractivity: 53.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.03
    ACD/LogD (pH 5.5): -1.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.25
    ACD/LogD (pH 7.4): -3.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 108 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 91.0±3.0 dyne/cm
    Molar Volume: 147.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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