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4840-82-8

4840-82-8 structural image
Product Name: 2-HEXANONE-1,1,1,3,3-D5
Formula: C6H12O
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COMPUTED DESCRIPTORS

Molecular Weight 105.19 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 105.120198732 g/mol
Monoisotopic Mass 105.120198732 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 57.2
Isotope Atom Count 5
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