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52598-04-6

52598-04-6 structural image
Product Name: N-HEXYL-1,1-D2 ALCOHOL
Formula: C6H12D2O
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COMPUTED DESCRIPTORS

Molecular Weight 104.19 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 104.117018558 g/mol
Monoisotopic Mass 104.117018558 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 27.4
Isotope Atom Count 2
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