(2S,4R,6S)-8-Oxo-1-azatricyclo[4.2.0.0^2,4]octane-2-carboxylic acid
[CAS# 736100-37-1]

Identification

• Name: (2S,4R,6S)-8-Oxo-1-azatricyclo[4.2.0.0^2,4]octane-2-carboxylic acid
• Synonyms: (2S,4R,6S)-8-oxo-1-azatricyclo[4.2.0.02,4]octane-2-carboxylic acid
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.16
• CAS Registry Number: 736100-37-1
• SMILES: C1[C@H]2CC(=O)N2[C@@]3([C@H]1C3)C(=O)O
• InChI: 1S/C8H9NO3/c10-6-2-5-1-4-3-8(4,7(11)12)9(5)6/h4-5H,1-3H2,(H,11,12)/t4-,5+,8+/m1/s1
• InChIKey: FMVXGKJPKRNLPA-FOHZUACHSA-N

Properties

• Density: 1.595g/cm³ (Cal.)
• Boiling point: 403.642°C at 760 mmHg (Cal.)
• Flash point: 197.916°C (Cal.)
• Refractive index: 1.657 (Cal.)