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Homecas864410-59-3

864410-59-3

864410-59-3 structural image
Product Name: 3-Piperidinemethanol, 1-[[4-(methylthio)phenyl]methyl]-
Formula: C14H21NOS
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COMPUTED DESCRIPTORS

Molecular Weight 251.39 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 251.13438547 g/mol
Monoisotopic Mass 251.13438547 g/mol
Topological Polar Surface Area 48.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 216
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