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898785-96-1

898785-96-1 structural image
Product Name: 4'-CHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Formula: C17H23ClO3
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COMPUTED DESCRIPTORS

Molecular Weight 310.8 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 310.1335723 g/mol
Monoisotopic Mass 310.1335723 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 325
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