Ibotenic Acid Monohydrate
[CAS# 60573-88-8]

Identification

• Name: Ibotenic Acid Monohydrate
• Synonyms: 2-Amino-2-(3-Oxoisoxazol-5-Yl)Acetic Acid Hydrate; 2-Amino-2-(3-Oxo-5-Isoxazolyl)Acetic Acid Hydrate; 2-Amino-2-(3-Ketoisoxazol-5-Yl)Acetic Acid Hydrate
• Molecular Formula: C₅H₈N₂O₅
• Molecular Weight: 176.13
• CAS Registry Number: 60573-88-8
• SMILES: O=C(O)C(N)C1=CC(=O)NO1.O
• InChI: 1S/C5H6N2O4.H2O/c6-4(5(9)10)2-1-3(8)7-11-2;/h1,4H,6H2,(H,7,8)(H,9,10);1H2
• InChIKey: QVKQQLYSTODTJN-UHFFFAOYSA-N

Properties

• Boiling point: 558.7°C at 760 mmHg (Cal.)
• Flash point: 291.7°C (Cal.)