5-Methyl-3-Isoxazolepropanoic acid
[CAS# 80073-32-1]

Identification

• Name: 5-Methyl-3-Isoxazolepropanoic acid
• Synonyms: 3-(5-Methylisoxazol-3-Yl)Propanoic Acid; 3-(5-Methyl-3-Isoxazolyl)Propanoic Acid; 3-(5-Methylisoxazol-3-Yl)Propionic Acid
• Molecular Formula: C₇H₉NO₃
• Molecular Weight: 155.15
• CAS Registry Number: 80073-32-1
• SMILES: C1=C(ON=C1CCC(=O)O)C
• InChI: 1S/C7H9NO3/c1-5-4-6(8-11-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
• InChIKey: XSJUUJCTQWMNNG-UHFFFAOYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 316.761°C at 760 mmHg (Cal.)
• Flash point: 145.372°C (Cal.)