ChemSpider 2D Image | 1-[1-(Methylsulfonyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylic acid | C8H12N4O4S

1-[1-(Methylsulfonyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC8H12N4O4S
  • Average mass260.270 Da
  • Monoisotopic mass260.057922 Da
  • ChemSpider ID53616793

More details:

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

1-[1-(Methylsulfonyl)-3-pyrrolidinyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[1-(Methylsulfonyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[1-(methylsulfonyl)-3-pyrrolidinyl]- [ACD/Index Name]
Acide 1-[1-(méthylsulfonyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(1-(methylsulfonyl)pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
2029724-20-5 [RN]
MFCD30003701

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

    Density: 1.7±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: 1.729
    Molar Refractivity: 59.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.00
    ACD/LogD (pH 5.5): -2.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 114 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 79.6±7.0 dyne/cm
    Molar Volume: 149.4±7.0 cm3

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