ChemSpider 2D Image | Methyl 6-methoxy-1-benzothiophene-2-carboxylate | C11H10O3S

Methyl 6-methoxy-1-benzothiophene-2-carboxylate

  • Molecular FormulaC11H10O3S
  • Average mass222.260 Da
  • Monoisotopic mass222.035065 Da
  • ChemSpider ID23077478

More details:

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

550998-58-8 [RN]
6-Méthoxy-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 6-methoxy-, methyl ester [ACD/Index Name]
Methyl 6-methoxy-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
methyl 6-methoxybenzo[b]thiophene-2-carboxylate
Methyl-6-methoxy-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
[550998-58-8] [RN]
6-methoxy-benzo b thiophene-2-carboxylic acid methyl ester
6-methoxybenzo[b]thiophene-2-carboxylic acid methyl ester
6-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester
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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: 345.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 162.4±22.3 °C
    Index of Refraction: 1.614
    Molar Refractivity: 60.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.10
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 242.07
    ACD/KOC (pH 5.5): 1770.25
    ACD/LogD (pH 7.4): 3.44
    ACD/BCF (pH 7.4): 242.07
    ACD/KOC (pH 7.4): 1770.25
    Polar Surface Area: 64 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 174.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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