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100596-16-5

100596-16-5 structural image
Product Name: 3-(1,3-DITHIAN-2-YL)-PENTANE-2,4-DIONE
Formula: C9H14O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 218.3 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 218.04352203 g/mol
Monoisotopic Mass 218.04352203 g/mol
Topological Polar Surface Area 84.7 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 196
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