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51533-65-4

51533-65-4 structural image
Product Name: 4-CYANO-4-(3,4-DIMETHOXYPHENYL)CYCLOHEXANONE
Formula: C15H17NO3
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COMPUTED DESCRIPTORS

Molecular Weight 259.30 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 259.12084340 g/mol
Monoisotopic Mass 259.12084340 g/mol
Topological Polar Surface Area 59.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 374
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