ChemSpider 2D Image | 3-(2-Methoxyethoxy)-5-nitro-2-thiophenecarboxylic acid | C8H9NO6S

3-(2-Methoxyethoxy)-5-nitro-2-thiophenecarboxylic acid

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID35492447

More details:

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

2-Thiophenecarboxylic acid, 3-(2-methoxyethoxy)-5-nitro- [ACD/Index Name]
3-(2-Methoxyethoxy)-5-nitro-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(2-Methoxyethoxy)-5-nitro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(2-méthoxyéthoxy)-5-nitro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1774903-16-0 [RN]
3-(2-methoxyethoxy)-5-nitrothiophene-2-carboxylic acid
3-(2-Methoxy-ethoxy)-5-nitro-thiophene-2-carboxylic acid
MFCD26129660

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 436.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 217.9±28.7 °C
    Index of Refraction: 1.584
    Molar Refractivity: 55.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): -1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 130 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 166.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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