ChemSpider 2D Image | 2-(Ethoxycarbonyl)-1-benzothiophene-6-carboxylic acid | C12H10O4S

2-(Ethoxycarbonyl)-1-benzothiophene-6-carboxylic acid

  • Molecular FormulaC12H10O4S
  • Average mass250.270 Da
  • Monoisotopic mass250.029984 Da
  • ChemSpider ID23077449

More details:

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

2-(Ethoxycarbonyl)-1-benzothiophen-6-carbonsäure [German] [ACD/IUPAC Name]
2-(Ethoxycarbonyl)-1-benzothiophene-6-carboxylic acid [ACD/IUPAC Name]
850074-43-0 [RN]
Acide 2-(éthoxycarbonyl)-1-benzothiophène-6-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2,6-dicarboxylic acid, 2-ethyl ester [ACD/Index Name]
2-(ethoxycarbonyl)benzo[b]thiophene-6-carboxylic acid
Benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester
MFCD13180603

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 443.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 221.9±23.2 °C
    Index of Refraction: 1.652
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.49
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 8.70
    ACD/KOC (pH 5.5): 57.62
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.33
    Polar Surface Area: 92 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 180.0±3.0 cm3

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