ChemSpider 2D Image | 5-Nitro-3-(2-propyn-1-yloxy)-2-thiophenecarboxylic acid | C8H5NO5S

5-Nitro-3-(2-propyn-1-yloxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC8H5NO5S
  • Average mass227.194 Da
  • Monoisotopic mass226.988846 Da
  • ChemSpider ID35492450

More details:

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

2-Thiophenecarboxylic acid, 5-nitro-3-(2-propyn-1-yloxy)- [ACD/Index Name]
5-Nitro-3-(2-propin-1-yloxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Nitro-3-(2-propyn-1-yloxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-nitro-3-(2-propyn-1-yloxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1707727-95-4 [RN]
5-Nitro-3-(prop-2-yn-1-yloxy)thiophene-2-carboxylic acid
5-nitro-3-prop-2-ynoxythiophene-2-carboxylic acid
5-Nitro-3-prop-2-ynyloxy-thiophene-2-carboxylic acid
MFCD26129663

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 439.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 219.5±28.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 51.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    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): -1.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 74.5±3.0 dyne/cm
    Molar Volume: 144.1±3.0 cm3

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