3-Methyl-Isoxazolo[5,4-d]Pyrimidin-4(5H)-One
[CAS# 68571-74-4]

Identification

• Name: 3-Methyl-Isoxazolo[5,4-d]Pyrimidin-4(5H)-One
• Synonyms: 3-Methyl-2H-Isoxazolo[4,5-E]Pyrimidin-4-One; Nsc265525
• Molecular Formula: C₆H₅N₃O₂
• Molecular Weight: 151.12
• CAS Registry Number: 68571-74-4
• SMILES: CC2=C1C(=NC=NC1=O)ON2
• InChI: 1S/C6H5N3O2/c1-3-4-5(10)7-2-8-6(4)11-9-3/h2,9H,1H3
• InChIKey: YLSIRRISKLJJQD-UHFFFAOYSA-N

Properties

• Density: 1.697g/cm³ (Cal.)
• Boiling point: 254.509°C at 760 mmHg (Cal.)
• Flash point: 107.724°C (Cal.)