Methyl (2aR,2bR,4aS,4bS)-2-Oxohexahydro-1-Azacyclopropa[cd]Pentalene-4A(1H)-Carboxylate
[CAS# 597540-62-0]

Identification

• Name: Methyl (2aR,2bR,4aS,4bS)-2-Oxohexahydro-1-Azacyclopropa[cd]Pentalene-4A(1H)-Carboxylate
• Synonyms: (2aR,2a1S,2bR,4aS)-methyl 2-oxooctahydro-1-azacyclopropa[cd]pentalene-4a-carboxylate
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.19
• CAS Registry Number: 597540-62-0
• SMILES: O=C2N[C@@]1(C(=O)OC)CC[C@@H]3[C@H]1[C@H]23
• InChI: 1S/C9H11NO3/c1-13-8(12)9-3-2-4-5(6(4)9)7(11)10-9/h4-6H,2-3H2,1H3,(H,10,11)/t4-,5+,6-,9-/m0/s1
• InChIKey: MDGJOQBWUHUYKY-LHKPINMVSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 352.08°C at 760 mmHg (Cal.)
• Flash point: 166.732°C (Cal.)
• Refractive index: 1.577 (Cal.)