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isothiazole-4-carboxylic acid
Weight129.14 g/mol
FormulaC4H3NO2S
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds1

isothiazole-4-carboxylic acid (822-82-2)

822-82-2

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Alternate Names

  • 822-82-2
  • SMILES
    C1=C(C=NS1)C(=O)O
  • InChIKey
    PCXTYKGTWQCNJI-UHFFFAOYSA-N

Estimated Properties

Boiling Point 233.06 C EPA T.E.S.T.
Boiling Point 265.94 C EPI Suite
Density 1.37 g/cm3 EPA T.E.S.T.
Flash Point 124.3 C EPA T.E.S.T.
Melting Point 81.33 C EPI Suite
Water Solubility 27135.7 mg/L EPA T.E.S.T.
Water Solubility 28680 mg/L EPI Suite

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