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4-(4H-1,2,4-triazol-4-yl)benzoic acid
Weight189.174 g/mol
FormulaC9H7N3O2
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings2
Rotatable Bonds2

4-(4H-1,2,4-triazol-4-yl)benzoic acid (157069-48-2)

157069-48-2

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Alternate Names

  • 157069-48-2
  • SMILES
    C1=CC(=CC=C1C(=O)O)N2C=NN=C2
  • InChIKey
    QCNDLFQKKMPZKH-UHFFFAOYSA-N

Estimated Properties

Boiling Point 328.8 C EPA T.E.S.T.
Boiling Point 361.7 C EPI Suite
Density 1.38 g/cm3 EPA T.E.S.T.
Flash Point 191.66 C EPA T.E.S.T.
Melting Point 144.6 C EPI Suite
Water Solubility 1474.48 mg/L EPA T.E.S.T.
Water Solubility 11676 mg/L EPI Suite

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