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898757-01-2

898757-01-2 structural image
Product Name: 2',6'-DICHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Formula: C17H22Cl2O3
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COMPUTED DESCRIPTORS

Molecular Weight 345.3 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 344.0945999 g/mol
Monoisotopic Mass 344.0945999 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 353
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