ChemSpider 2D Image | Methyl 4-hydroxy-1-benzothiophene-6-carboxylate | C10H8O3S

Methyl 4-hydroxy-1-benzothiophene-6-carboxylate

  • Molecular FormulaC10H8O3S
  • Average mass208.234 Da
  • Monoisotopic mass208.019409 Da
  • ChemSpider ID26782506

More details:

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

314725-14-9 [RN]
4-Hydroxy-1-benzothiophène-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-carboxylic acid, 4-hydroxy-, methyl ester [ACD/Index Name]
Methyl 4-hydroxy-1-benzothiophene-6-carboxylate [ACD/IUPAC Name]
Methyl-4-hydroxy-1-benzothiophen-6-carboxylat [German] [ACD/IUPAC Name]
1-Propanol, 2-(phenylmethoxy)- [ACD/Index Name]
2-(Benzyloxy)-1-propanol [ACD/IUPAC Name]
AGN-PC-0O8U9N
AKOS022667291
CS-11828
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 399.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±3.0 kJ/mol
    Flash Point: 195.3±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: 4.05
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 107.14
    ACD/KOC (pH 5.5): 987.45
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 98.64
    ACD/KOC (pH 7.4): 909.15
    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


    Advertisement