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CS-W001157 4
Total: USD 88.00

5-Acetylisoxazole-3-carboxylic acid

  • CAS No. 145441-17-4

  • Cat. No. CS-0208048
  • Purity≥95%
  • MDL No.MFCD11035732

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

5-Acetylisoxazole-3-carboxylic acid|CS-0208048

Structure of 145441-17-4

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General Information

  • CAS No. 145441-17-4
  • Cat. No. CS-0208048
  • Purity ≥95%
  • MDL No. MFCD11035732
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄
  • Molecular Weight 155.11
  • Synonym(s) 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)
  • SMILES CC(=O)C1=CC(=NO1)C(=O)O

Synthesis

  • Route1
    • Ethyl 5-acetylisoxazole-3-carboxylate|CS-0440230
      104776-70-7
    • ~75%
    • 5-Acetylisoxazole-3-carboxylic acid|CS-0208048
      145441-17-4

    References

    • Lepage; Tombret; Cuvier; Marivain; Gillardin European Journal of Medicinal Chemistry, 1992 , vol. 27, # 6 p. 581 - 593

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   80.4
  • LogP   0.5754
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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