(3aalpha,4beta,7beta,7aalpha)-Hexahydro-3a,7a-Dimethyl-4,7-Epoxy-1H-Isoindole-1,3(2H)-Dione
[CAS# 76970-77-9]

Identification

• Name: (3aalpha,4beta,7beta,7aalpha)-Hexahydro-3a,7a-Dimethyl-4,7-Epoxy-1H-Isoindole-1,3(2H)-Dione
• Synonyms: Cantharidin Imide; Hexahydro-3A,7A-Dimethyl-4,7-Epoxy-1H-Isoindole-1,3(2H)-Dione; Nsc115498
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.22
• CAS Registry Number: 76970-77-9
• SMILES: CC13C(C2OC1CC2)(C(=O)NC3=O)C
• InChI: 1S/C10H13NO3/c1-9-5-3-4-6(14-5)10(9,2)8(13)11-7(9)12/h5-6H,3-4H2,1-2H3,(H,11,12,13)
• InChIKey: PHOUKBDDOYWEMY-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 353.647°C at 760 mmHg (Cal.)
• Flash point: 167.68°C (Cal.)