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Search term: NSCJEFQUUHDVPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(Allyloxy)-5-nitro-2-thiophenecarboxylic acid | C8H7NO5S

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

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID35492446

More details:

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

2-Thiophenecarboxylic acid, 5-nitro-3-(2-propen-1-yloxy)- [ACD/Index Name]
3-(Allyloxy)-5-nitro-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(Allyloxy)-5-nitro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(allyloxy)-5-nitro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1707568-96-4 [RN]
3-(Allyloxy)-5-nitrothiophene-2-carboxylic acid
3-Allyloxy-5-nitro-thiophene-2-carboxylic acid
5-nitro-3-prop-2-enoxythiophene-2-carboxylic acid
MFCD26129659

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 419.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 207.5±28.7 °C
    Index of Refraction: 1.609
    Molar Refractivity: 53.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.23
    ACD/LogD (pH 5.5): -0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.06
    ACD/LogD (pH 7.4): -0.95
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 60.4±3.0 dyne/cm
    Molar Volume: 155.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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