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1186654-62-5

1186654-62-5 structural image
Product Name: tert-butyl (3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Formula: C18H27NO4
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COMPUTED DESCRIPTORS

Molecular Weight 321.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 321.19400834 g/mol
Monoisotopic Mass 321.19400834 g/mol
Topological Polar Surface Area 59 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 393
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes