ChemSpider 2D Image | (E)-2-(4-(cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)acrylic acid | C17H20O5S

(E)-2-(4-(cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)acrylic acid

  • Molecular FormulaC17H20O5S
  • Average mass336.403 Da
  • Monoisotopic mass336.103149 Da
  • ChemSpider ID28473959

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)acrylic acid [ACD/IUPAC Name]
(2E)-2-[4-(Cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)acrylsäure [German] [ACD/IUPAC Name]
(E)-2-(4-(cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)acrylic acid
745052-98-6 [RN]
Acide (2E)-2-[4-(cyclopropylsulfonyl)phényl]-3-(tétrahydro-2H-pyran-4-yl)acrylique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(cyclopropylsulfonyl)-α-[(tetrahydro-2H-pyran-4-yl)methylene]-, (αE)- [ACD/Index Name]
(2E)-2-[4-(Cyclopropanesulfonyl)phenyl]-3-(oxan-4-yl)prop-2-enoic acid
2-(4-cyclopropanesulfonyl-phenyl)-3-(tetrahydro-pyran-4-yl)-acrylic acid
MFCD14706688

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

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 589.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.5±3.0 kJ/mol
    Flash Point: 310.0±30.1 °C
    Index of Refraction: 1.627
    Molar Refractivity: 85.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): -0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.43
    ACD/LogD (pH 7.4): -1.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 65.3±3.0 dyne/cm
    Molar Volume: 241.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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