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Homecas133920-06-6

133920-06-6

133920-06-6 structural image
Product Name: 6-PHENYLHEXYL ISOTHIOCYANATE
Formula: C13H17NS
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COMPUTED DESCRIPTORS

Molecular Weight 219.35 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 219.10817072 g/mol
Monoisotopic Mass 219.10817072 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 191
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