ChemSpider 2D Image | 4-(Thiophen-2-yl)oxane-4-carboxylic acid | C10H12O3S

4-(Thiophen-2-yl)oxane-4-carboxylic acid

  • Molecular FormulaC10H12O3S
  • Average mass212.266 Da
  • Monoisotopic mass212.050720 Da
  • ChemSpider ID13928625

More details:

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

2H-Pyran-4-carboxylic acid, tetrahydro-4-(2-thienyl)- [ACD/Index Name]
4-(2-Thienyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-(2-Thienyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-(Thiophen-2-yl)oxane-4-carboxylic acid
880166-18-7 [RN]
Acide 4-(2-thiényl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
[880166-18-7] [RN]
24255-45-6 [RN]
2H-Pyran-4-carboxylicacid, tetrahydro-4-(2-thienyl)-
4-(2-thienyl)-2H-3,4,5,6-tetrahydropyran-4-carboxylic acid
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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: 383.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 185.6±27.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 53.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.73
    ACD/LogD (pH 7.4): -1.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 161.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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