ChemSpider 2D Image | Ethyl 6-{[4,4-dimethyl(2,2-~2~H_2_)-3,4-dihydro-2H-thiochromen-6-yl](~13~C_2_)ethynyl}nicotinate | C1913C2H19D2NO2S

Ethyl 6-{[4,4-dimethyl(2,2-2H2)-3,4-dihydro-2H-thiochromen-6-yl](13C2)ethynyl}nicotinate

  • Molecular FormulaC1913C2H19D2NO2S
  • Average mass355.460 Da
  • Monoisotopic mass355.148560 Da
  • ChemSpider ID58798720

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Pyridinecarboxylic acid, 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl-2,2-d2)ethynyl-1,2-13C2]-, ethyl ester [ACD/Index Name]
6-{[4,4-Diméthyl(2,2-2H2)-3,4-dihydro-2H-thiochromén-6-yl](13C2)éthynyl}nicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4,4-dimethyl(2,2-2H2)-3,4-dihydro-2H-thiochromen-6-yl](13C2)ethynyl}nicotinate [ACD/IUPAC Name]
Ethyl-6-{[4,4-dimethyl(2,2-2H2)-3,4-dihydro-2H-thiochromen-6-yl](13C2)ethinyl}nicotinat [German] [ACD/IUPAC Name]
118292-40-3 [RN]
Tazarotene Labeled d2, 13C2

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.625
    Molar Refractivity: 101.4±0.4 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 40.2±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 287.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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