Scopoline

• Catalog Number: ACM487274-1
• Product Name: Scopoline
• CAS: 487-27-4
• Category: Heterocyclic Organic Compound
• Synonyms: Oscine
• IUPAC Name: Scopoline
• Molecular Weight: 155.19
• Molecular Formula: C8H13NO2
• Canonical SMILES: CN1C2CC3CC1C(C2O)O3
• InChI: InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3
• InChI Key: MEGPURSNXMUDAE-UHFFFAOYSA-N
• Boiling Point: 248° C at 760 mmHg (Predicted)
• Melting Point: 107-109 °C
• Flash Point: 111.6ºC
• Density: 1.284 g/cm³
• Storage: room temperature
• Complexity: 197
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 207-655-3
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 155.094628657
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 32.7 Ų