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887589-95-9

887589-95-9 structural image
Product Name: 3-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula: C17H22N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 350.13002836 g/mol
Monoisotopic Mass 350.13002836 g/mol
Topological Polar Surface Area 95.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 609
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes