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1217606-18-2

1217606-18-2 structural image
Product Name: (S)-ALPHA-(4-CYANO-BENZYL)-PROLINE-HCL
Formula: C13H15ClN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 266.72 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 266.0822054 g/mol
Monoisotopic Mass 266.0822054 g/mol
Topological Polar Surface Area 73.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 339
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes