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CS-W001157 4
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3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid

  • CAS No. 51672-79-8

  • Cat. No. CS-0072048
  • Purity≥97%
  • MDL No.MFCD02926470

*For research and further manufacturing use only, not for direct human use.

3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid|CS-0072048

Structure of 51672-79-8

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General Information

  • CAS No. 51672-79-8
  • Cat. No. CS-0072048
  • Purity ≥97%
  • MDL No. MFCD02926470
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₃
  • Molecular Weight 219.20
  • Synonym(s) 3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoic acid
  • SMILES O=C1N(CCC(O)=O)N=NC2=CC=CC=C21

Synthesis

  • Route1
    • 3-(2-Aminobenzamido)propanoic acid|CS-0359438
      13135-92-7
    • ~%
    • 3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid|CS-0072048
      51672-79-8

    References

    • Susse; Johne Helvetica Chimica Acta, 1985 , vol. 68, # 4 p. 892 - 899
  • Route2

    References

    • Susse; Johne Helvetica Chimica Acta, 1985 , vol. 68, # 4 p. 892 - 899

Safety Information

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Computational Chemistry Data

  • TPSA   85.08
  • LogP   0.2662
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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