3,7,7-Trimethyl-4,8-Dihydro-[1,2]Oxazolo[4,5-d][1,3]Oxazepin-5-One
[CAS# 77931-65-8]

Identification

• Name: 3,7,7-Trimethyl-4,8-Dihydro-[1,2]Oxazolo[4,5-d][1,3]Oxazepin-5-One
• Synonyms: 3,7,7-Trimethyl-4,8-Dihydroisoxazolo[4,5-D][1,3]Oxazepin-5-One; Nsc353675; 3,7,7-Trimethyl-7,8-Dihydroisoxazolo(4,5-D)(1,3)Oxazepin-5(4H)-One
• Molecular Formula: C₉H₁₂N₂O₃
• Molecular Weight: 196.21
• CAS Registry Number: 77931-65-8
• SMILES: CC2(OC(=O)NC1=C(ON=C1C)C2)C
• InChI: 1S/C9H12N2O3/c1-5-7-6(14-11-5)4-9(2,3)13-8(12)10-7/h4H2,1-3H3,(H,10,12)
• InChIKey: SSZRWCKRZZYAAF-UHFFFAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 254.747°C at 760 mmHg (Cal.)
• Flash point: 107.867°C (Cal.)