ChemSpider 2D Image | 2-(1H-Pyrrol-1-yl)ethyl methanesulfonate | C7H11NO3S

2-(1H-Pyrrol-1-yl)ethyl methanesulfonate

  • Molecular FormulaC7H11NO3S
  • Average mass189.232 Da
  • Monoisotopic mass189.045959 Da
  • ChemSpider ID23375702

More details:

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

1H-Pyrrole-1-ethanol, methanesulfonate (ester) [ACD/Index Name]
2-(1H-Pyrrol-1-yl)ethyl methanesulfonate [ACD/IUPAC Name]
2-(1H-Pyrrol-1-yl)ethyl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de 2-(1H-pyrrol-1-yl)éthyle [French] [ACD/IUPAC Name]
2-(pyrrol-1-yl)ethyl methanesulfonate
2-pyrrol-1-ylethyl methanesulfonate
85801-32-7 [RN]
AKOS005208246
ATUCHYLEHNGRSR-UHFFFAOYSA-N
F2147-0153
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 353.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 167.5±23.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 47.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.58
    ACD/LogD (pH 5.5): 0.98
    ACD/BCF (pH 5.5): 3.25
    ACD/KOC (pH 5.5): 80.84
    ACD/LogD (pH 7.4): 0.98
    ACD/BCF (pH 7.4): 3.25
    ACD/KOC (pH 7.4): 80.84
    Polar Surface Area: 57 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 44.7±7.0 dyne/cm
    Molar Volume: 153.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement