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19942-78-0

19942-78-0 structural image
Product Name: N-OCTYL THIOCYANATE
Formula: C9H17NS
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COMPUTED DESCRIPTORS

Molecular Weight 171.31 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 171.10817072 g/mol
Monoisotopic Mass 171.10817072 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 114
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