ChemSpider 2D Image | 4-(Hydroxymethyl)-2-thiophenecarboxylic acid | C6H6O3S

4-(Hydroxymethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC6H6O3S
  • Average mass158.175 Da
  • Monoisotopic mass158.003769 Da
  • ChemSpider ID28420257

More details:

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

14282-65-6 [RN]
2-Thiophenecarboxylic acid, 4-(hydroxymethyl)- [ACD/Index Name]
4-(Hydroxymethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(Hydroxymethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(hydroxyméthyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
[14282-65-6] [RN]
4-(Hydroxymethyl)thiophene-2-carboxylic acid
5,8-Dioxaspiro[3.4]octane-2,2-diyldimethanol [ACD/IUPAC Name]
MFCD20638974

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 382.6±32.0 °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: 185.2±25.1 °C
    Index of Refraction: 1.642
    Molar Refractivity: 38.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.39
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 71.5±3.0 dyne/cm
    Molar Volume: 105.3±3.0 cm3

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