(2S,5R)-3-Methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
[CAS# 717132-84-8]

Identification

• Name: (2S,5R)-3-Methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
• Synonyms: (1R,2S,5R)-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
• Molecular Formula: C₉H₁₁NO₄
• Molecular Weight: 197.19
• CAS Registry Number: 717132-84-8
• SMILES: COC1=C[C@H]2CC(=O)[N@](C2)[C@@H]1C(=O)O
• InChI: 1S/C9H11NO4/c1-14-6-2-5-3-7(11)10(4-5)8(6)9(12)13/h2,5,8H,3-4H2,1H3,(H,12,13)/t5-,8-/m0/s1
• InChIKey: XLFKJYGNAHLAQB-XNCJUZBTSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 456.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 229.9±28.7°C (Cal.)
• Refractive index: 1.586 (Cal.)