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223655-46-7

223655-46-7 structural image
Product Name: (3'R,5'S)-3'-Hydroxycotinine
Formula: C10H12N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 192.21 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 192.089877630 g/mol
Monoisotopic Mass 192.089877630 g/mol
Topological Polar Surface Area 53.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 232
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

PRODUCT INTRODUCTION

description

Trans-3-hydroxycotinine is an N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer). It is a N-alkylpyrrolidine, a member of pyridines, a pyrrolidine alkaloid and a member of pyrrolidin-2-ones. It is functionally related to a (-)-cotinine.