3-(Pyrrolidine-1-Carbonyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
[CAS# 436811-25-5]

Identification

• Name: 3-(Pyrrolidine-1-Carbonyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
• Synonyms: (1S,4R,5S,6S)-6-(Oxo-1-Pyrrolidinylmethyl)-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; (1S,4R,5S,6S)-6-Pyrrolidin-1-Ylcarbonylbicyclo[2.2.1]Hept-2-Ene-5-Carboxylate; Zinc00349086
• Molecular Formula: C₁₃H₁₆NO₃
• Molecular Weight: 234.27
• CAS Registry Number: 436811-25-5
• SMILES: [C@H]1([C@H]([C@@H]2C[C@H]1C=C2)C([O-])=O)C(=O)N3CCCC3
• InChI: 1S/C13H17NO3/c15-12(14-5-1-2-6-14)10-8-3-4-9(7-8)11(10)13(16)17/h3-4,8-11H,1-2,5-7H2,(H,16,17)/p-1/t8-,9+,10+,11+/m1/s1
• InChIKey: VDQJAWYQRNBTCR-RCWTZXSCSA-M

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 457.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 230.6±28.7°C (Cal.)