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898780-87-5

898780-87-5 structural image
Product Name: 2'-CYANO-3-(4-THIOMETHYLPHENYL)PROPIOPHENONE
Formula: C17H15NOS
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COMPUTED DESCRIPTORS

Molecular Weight 281.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 281.08743528 g/mol
Monoisotopic Mass 281.08743528 g/mol
Topological Polar Surface Area 66.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 364
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