ChemSpider 2D Image | Ethyl 5-[(ethylsulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate | C9H15NO5S

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

  • Molecular FormulaC9H15NO5S
  • Average mass249.284 Da
  • Monoisotopic mass249.067093 Da
  • ChemSpider ID35497999

More details:

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

1707403-05-1 [RN]
3-Isoxazolecarboxylic acid, 5-[(ethylsulfonyl)methyl]-4,5-dihydro-, ethyl ester [ACD/Index Name]
5-[(Éthylsulfonyl)méthyl]-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 5-[(ethanesulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Ethyl 5-[(ethylsulfonyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(ethylsulfonyl)methyl]-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
5-Ethanesulfonylmethyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester
Ethyl 5-((ethylsulfonyl)methyl)-4,5-dihydroisoxazole-3-carboxylate
ethyl 5-(ethylsulfonylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
MFCD27579258

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 407.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 200.0±26.5 °C
    Index of Refraction: 1.543
    Molar Refractivity: 57.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -0.73
    ACD/LogD (pH 5.5): 0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.94
    ACD/LogD (pH 7.4): 0.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.94
    Polar Surface Area: 90 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 182.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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