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Homecas1126-80-3

1126-80-3

1126-80-3 structural image
Product Name: Phenyl butyl sulfide
Formula: C10H14S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1346 1346

COMPUTED DESCRIPTORS

Molecular Weight 166.29 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 166.08162162 g/mol
Monoisotopic Mass 166.08162162 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 84.9
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