(5S,6S)-6-Ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
[CAS# 717132-87-1]

Identification

• Name: (5S,6S)-6-Ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
• Synonyms: (1R,5S,6S)-6-ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.24
• CAS Registry Number: 717132-87-1
• SMILES: O=C(O)/C1=C(\OC)C[C@H]2[C@@H](C(=O)N1C2)CC
• InChI: 1S/C11H15NO4/c1-3-7-6-4-8(16-2)9(11(14)15)12(5-6)10(7)13/h6-7H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1
• InChIKey: PYSYMYSZJUFVOS-RQJHMYQMSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 442.218°C at 760 mmHg (Cal.)
• Flash point: 221.246°C (Cal.)
• Refractive index: 1.562 (Cal.)