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CS-W001157 4
Total: USD 88.00

5-Methylisoxazole-3-carboxylic acid

  • CAS No. 3405-77-4

  • Cat. No. CS-W007575
  • Molecule weight127.10
  • Purity≥98%
  • MDL No.MFCD01318162

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

5-Methylisoxazole-3-carboxylic acid|CS-W007575

Structure of 3405-77-4

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General Information

  • CAS No. 3405-77-4
  • Cat. No. CS-W007575
  • Purity ≥98%
  • MDL No. MFCD01318162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₃
  • Molecular Weight 127.10
  • Synonym(s) 5-Methyl-3-isooxazolecarboxylic acid; 5-Methylisoxazole-3-carboxylic acid
  • SMILES O=C(C1=NOC(C)=C1)O

Application

5-Methylisoxazole-3-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoxazole-based scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization, while the methyl group enhances metabolic stability. The compound exhibits good bench stability and solubility in common organic solvents, supporting straightforward purification and integration into multi-step syntheses.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   0.68122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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