3-Methylisoxazole-4-carboxylic Acid

• CAT Number: R052713
• CAS Number: 17153-20-7
• Molecular Formula: C5H5NO3
• Molecular Weight: 127.10
• Purity: ≥95%
• Synonyms: 3-Methyl-4-isoxazolecarboxylic Acid
• Storage: -20°C
• IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid
• InChI: InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
• InChIKey: YBLSBWHFPXDRHC-UHFFFAOYSA-N
• SMILES: CC1=NOC=C1C(=O)O

3-Methylisoxazole-4-carboxylic acid (Cat No.: R052713) is a heterocyclic organic compound with the molecular formula C₅H₅NO₃. It features a methyl group at the 3-position and a carboxylic acid group at the 4-position of the isoxazole ring. This molecule is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and biologically active heterocycles. Its electron-rich isoxazole ring and reactive carboxylic acid functionality make it valuable in medicinal chemistry for constructing diverse scaffolds and exploring structure–activity relationships in drug development.