ChemSpider 2D Image | 6-(3-Amino-1H-1,2,4-triazol-5-yl)-3-cyclohexene-1-carboxylic acid | C9H12N4O2

6-(3-Amino-1H-1,2,4-triazol-5-yl)-3-cyclohexene-1-carboxylic acid

  • Molecular FormulaC9H12N4O2
  • Average mass208.217 Da
  • Monoisotopic mass208.096024 Da
  • ChemSpider ID27444415

More details:

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

1250099-01-4 [RN]
3-Cyclohexene-1-carboxylic acid, 6-(5-amino-1H-1,2,4-triazol-3-yl)- [ACD/Index Name]
6-(3-Amino-1H-1,2,4-triazol-5-yl)-3-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
6-(3-Amino-1H-1,2,4-triazol-5-yl)-3-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
6-(5-amino-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
Acide 6-(3-amino-1H-1,2,4-triazol-5-yl)-3-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
3-cyclohexene-1-carboxylic acid, 6-(5-amino-1H-1,2,4-triazol-3-yl)
6-(3-amino-1H-1,2,4-triazol-5-yl)cyclohex-3-ene-1-carboxylic acid
6-(5-Amino-1H-1,2,4-triazol-3-yl)-cyclohex-3-ene-1-carboxylic acid
6-(5-Amino-1H-1,2,4-triazol-3-yl)cyclohex-3-enecarboxylic acid
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 539.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±3.0 kJ/mol
    Flash Point: 279.8±32.9 °C
    Index of Refraction: 1.657
    Molar Refractivity: 52.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -1.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.09
    ACD/LogD (pH 7.4): -2.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 89.6±3.0 dyne/cm
    Molar Volume: 143.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement