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89397-99-9

89397-99-9 structural image
Product Name: Octanethioic acid, S-2-pyridinyl ester
Formula: C13H19NOS
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COMPUTED DESCRIPTORS

Molecular Weight 237.36 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 237.11873540 g/mol
Monoisotopic Mass 237.11873540 g/mol
Topological Polar Surface Area 55.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes