ChemSpider 2D Image | 4-(3,4-Dimethoxyphenyl)-1-benzothiophene-6-carboxylic acid | C17H14O4S

4-(3,4-Dimethoxyphenyl)-1-benzothiophene-6-carboxylic acid

  • Molecular FormulaC17H14O4S
  • Average mass314.356 Da
  • Monoisotopic mass314.061279 Da
  • ChemSpider ID25635649

More details:

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

1225745-31-2 [RN]
4-(3,4-Dimethoxyphenyl)-1-benzothiophen-6-carbonsäure [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-1-benzothiophene-6-carboxylic acid [ACD/IUPAC Name]
Acide 4-(3,4-diméthoxyphényl)-1-benzothiophène-6-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-carboxylic acid, 4-(3,4-dimethoxyphenyl)- [ACD/Index Name]
4-(3,4-Dimethoxyphenyl)benzo[b]thiophene-6-carboxylic acid
4-(3,4-Dimethoxy-phenyl)-benzo[b]thiophene-6-carboxylic acid
AGN-PC-07T7SE
AKOS002684403
MFCD16485586

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 524.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 270.7±30.1 °C
    Index of Refraction: 1.652
    Molar Refractivity: 87.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 75.81
    ACD/KOC (pH 5.5): 293.23
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 2.58
    ACD/KOC (pH 7.4): 9.97
    Polar Surface Area: 84 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 238.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement