ChemSpider 2D Image | Isopropyl (2E)-3-[1-(methylsulfonyl)-4-piperidinyl]acrylate | C12H21NO4S

Isopropyl (2E)-3-[1-(methylsulfonyl)-4-piperidinyl]acrylate

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID28292389

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[1-(Méthylsulfonyl)-4-pipéridinyl]acrylate d'isopropyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[1-(methylsulfonyl)-4-piperidinyl]-, 1-methylethyl ester, (2E)- [ACD/Index Name]
937282-79-6 [RN]
Isopropyl (2E)-3-[1-(methylsulfonyl)-4-piperidinyl]acrylate [ACD/IUPAC Name]
Isopropyl-(2E)-3-[1-(methylsulfonyl)-4-piperidinyl]acrylat [German] [ACD/IUPAC Name]
PROPAN-2-YL (2E)-3-(1-METHANESULFONYLPIPERIDIN-4-YL)PROP-2-ENOATE
(E)-isopropyl 3-(1-(methylsulfonyl)piperidin-4-yl)acrylate
2-Propenoic acid, 3-[1-(methylsulfonyl)-4-piperidinyl]-, 1-methylethyl ester [ACD/Index Name]
2-Propenoicacid,3-[1-(methylsulfonyl)-4-piperidinyl]-,1-methylethylester
3-(1-methanesulfonyl-piperidin-4-yl)-acrylic acid isopropyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 380.9±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 184.2±30.7 °C
    Index of Refraction: 1.515
    Molar Refractivity: 70.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 12.22
    ACD/KOC (pH 5.5): 208.81
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 12.22
    ACD/KOC (pH 7.4): 208.81
    Polar Surface Area: 72 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 232.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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