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898756-13-3

898756-13-3 structural image
Product Name: 2',5'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Formula: C19H28O5
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COMPUTED DESCRIPTORS

Molecular Weight 336.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 336.19367399 g/mol
Monoisotopic Mass 336.19367399 g/mol
Topological Polar Surface Area 54 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 385
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