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Search term: PHAPHVHCRYFPKH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(Cyanomethoxy)-2-thiophenecarboxylic acid | C7H5NO3S

4-(Cyanomethoxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC7H5NO3S
  • Average mass183.184 Da
  • Monoisotopic mass182.999008 Da
  • ChemSpider ID35493165

More details:

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

2-Thiophenecarboxylic acid, 4-(cyanomethoxy)- [ACD/Index Name]
4-(Cyanmethoxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(Cyanomethoxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(cyanométhoxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1509360-90-0 [RN]
4-(cyanomethoxy)thiophene-2-carboxylic acid
4-Cyanomethoxy-thiophene-2-carboxylic acid
AGN-PC-0GY8LN
AKOS015784824
MFCD21775038

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 414.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 204.5±24.6 °C
    Index of Refraction: 1.599
    Molar Refractivity: 42.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.91
    ACD/LogD (pH 7.4): -1.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 66.1±3.0 dyne/cm
    Molar Volume: 125.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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