ChemSpider 2D Image | Methyl 3-hydroxy-4-nitro-2-thiophenecarboxylate | C6H5NO5S

Methyl 3-hydroxy-4-nitro-2-thiophenecarboxylate

  • Molecular FormulaC6H5NO5S
  • Average mass203.173 Da
  • Monoisotopic mass202.988846 Da
  • ChemSpider ID21630690

More details:

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

2-Thiophenecarboxylic acid, 3-hydroxy-4-nitro-, methyl ester [ACD/Index Name]
3-Hydroxy-4-nitro-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
89380-76-7 [RN]
Methyl 3-hydroxy-4-nitro-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 3-hydroxy-4-nitrothiophene-2-carboxylate
Methyl-3-hydroxy-4-nitro-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[89380-76-7] [RN]
2-THIOPHENECARBOXYLIC ACID 3-HYDROXY-4-NITRO-,METHYL ESTER
2-Thiophenecarboxylic acid, 3-hydroxy-4-nitro-, methyl ester (7CI,9CI)
2-Thiophenecarboxylicacid,3-hydroxy-4-nitro-,methylester(7CI,9CI)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 292.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 130.7±25.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 31.65
    ACD/KOC (pH 5.5): 401.79
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 3.97
    ACD/KOC (pH 7.4): 50.46
    Polar Surface Area: 121 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 68.6±3.0 dyne/cm
    Molar Volume: 127.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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