(Isoxazolin-5-On-2-Yl)Alanine
[CAS# 59476-61-8]

Identification

• Name: (Isoxazolin-5-On-2-Yl)Alanine
• Synonyms: (2S)-2-Amino-3-(5-Oxoisoxazol-2-Yl)Propanoic Acid; (2S)-2-Amino-3-(5-Oxo-2-Isoxazolyl)Propanoic Acid; (2S)-2-Amino-3-(5-Ketoisoxazol-2-Yl)Propionic Acid
• Molecular Formula: C₆H₈N₂O₄
• Molecular Weight: 172.14
• CAS Registry Number: 59476-61-8
• SMILES: [C@@H](C(=O)O)(CN1OC(C=C1)=O)N
• InChI: 1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1
• InChIKey: BDHFFHBFJUZSBF-BYPYZUCNSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 346.447°C at 760 mmHg (Cal.)
• Flash point: 163.326°C (Cal.)