ChemSpider 2D Image | [1-(Methylsulfonyl)-4-piperidinyl]acetic acid | C8H15NO4S

[1-(Methylsulfonyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC8H15NO4S
  • Average mass221.274 Da
  • Monoisotopic mass221.072174 Da
  • ChemSpider ID25416149

More details:

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

[1-(Methylsulfonyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
[1-(Methylsulfonyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
2-(1-methanesulfonylpiperidin-4-yl)acetic acid
423722-27-4 [RN]
4-Piperidineacetic acid, 1-(methylsulfonyl)- [ACD/Index Name]
Acide [1-(méthylsulfonyl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]
(1-Methanesulfonyl-piperidin-4-yl)-acetic acid
(1-METHANESULFONYLPIPERIDIN-4-YL)ACETIC ACID
[423722-27-4] [RN]
1-(methylsulfonyl)-4-piperidineacetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 406.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±6.0 kJ/mol
    Flash Point: 199.6±26.5 °C
    Index of Refraction: 1.538
    Molar Refractivity: 51.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.09
    ACD/LogD (pH 5.5): -0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.30
    ACD/LogD (pH 7.4): -2.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 55.0±5.0 dyne/cm
    Molar Volume: 164.1±5.0 cm3

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