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Homecas898780-26-2

898780-26-2

898780-26-2 structural image
Product Name: 3'-CYANO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
Formula: C18H17NO
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COMPUTED DESCRIPTORS

Molecular Weight 263.3 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 263.131014166 g/mol
Monoisotopic Mass 263.131014166 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 370
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