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53389-25-6

53389-25-6 structural image
Product Name: 3-PENTANONE-1,1,1,5,5,5-D6
Formula: C5H4D6O
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COMPUTED DESCRIPTORS

Molecular Weight 92.17 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 92.110825414 g/mol
Monoisotopic Mass 92.110825414 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 41.9
Isotope Atom Count 6
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