ChemSpider 2D Image | Ethyl 2-acetamido-4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C13H15NO4S

Ethyl 2-acetamido-4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC13H15NO4S
  • Average mass281.328 Da
  • Monoisotopic mass281.072174 Da
  • ChemSpider ID26052941

More details:

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

1273578-07-6 [RN]
2-Acétamido-4-oxo-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-acetamido-4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-acetamido-4-oxo-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-Acetylamino-4-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
ethyl 2-(acetylamino)-4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(acetylamino)-4-oxo-5,6,7-trihydrobenzo[b]thiophene-3-carboxylate
Ethyl 2-acetamido-4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-acetamido-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 543.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 282.7±30.1 °C
    Index of Refraction: 1.605
    Molar Refractivity: 72.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 64.62
    ACD/KOC (pH 5.5): 687.84
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.62
    ACD/KOC (pH 7.4): 687.84
    Polar Surface Area: 101 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 209.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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