ChemSpider 2D Image | Ethyl 5-[(methylsulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate | C8H13NO5S

Ethyl 5-[(methylsulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

  • Molecular FormulaC8H13NO5S
  • Average mass235.258 Da
  • Monoisotopic mass235.051437 Da
  • ChemSpider ID35497998

More details:

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

3-Isoxazolecarboxylic acid, 4,5-dihydro-5-[(methylsulfonyl)methyl]-, ethyl ester [ACD/Index Name]
5-[(Méthylsulfonyl)méthyl]-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(methylsulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(methylsulfonyl)methyl]-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
5-Methanesulfonylmethyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester
84654-41-1 [RN]
ethyl 5-((methylsulfonyl)methyl)-4,5-dihydroisoxazole-3-carboxylate
ethyl 5-(methylsulfonylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
MFCD27579257

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 398.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.5±25.7 °C
    Index of Refraction: 1.549
    Molar Refractivity: 52.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.26
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.33
    ACD/LogD (pH 7.4): -0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.33
    Polar Surface Area: 90 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 48.1±7.0 dyne/cm
    Molar Volume: 166.4±7.0 cm3

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