ChemSpider 2D Image | Methyl 5-hydroxy-1-benzothiophene-2-carboxylate | C10H8O3S

Methyl 5-hydroxy-1-benzothiophene-2-carboxylate

  • Molecular FormulaC10H8O3S
  • Average mass208.234 Da
  • Monoisotopic mass208.019409 Da
  • ChemSpider ID23077530

More details:

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

5-Hydroxy-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5-hydroxy-, methyl ester [ACD/Index Name]
Methyl 5-hydroxy-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl-5-hydroxy-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
5-Hydroxybenzo[b]thiophene-2-carboxylic acid methyl ester
82788-15-6 [RN]
methyl 5-hydroxybenzo[b]thiophene-2-carboxylate
methyl 5-hydroxybenzothiophene-2-carboxylate
methyl-5-hydroxybenzo[b]thiophene-2-carboxylate
MFCD13193055

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 372.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 179.2±22.3 °C
    Index of Refraction: 1.675
    Molar Refractivity: 56.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.41
    ACD/KOC (pH 5.5): 832.73
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 82.56
    ACD/KOC (pH 7.4): 814.45
    Polar Surface Area: 75 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 149.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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