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57841-38-0

57841-38-0 structural image
Product Name: 3,4,5,6-Tetrahydro-6-(3,5-xylyloxymethyl)-2H-1,3-oxazine-2-thione
Formula: C13H17NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 251.35 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 251.09799996 g/mol
Monoisotopic Mass 251.09799996 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 262
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