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118104-91-9

118104-91-9 structural image
Product Name: 1-BUTANOL-1,1,2,2-D4
Formula: C4H6D4O
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COMPUTED DESCRIPTORS

Molecular Weight 78.15 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 78.098271922 g/mol
Monoisotopic Mass 78.098271922 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 13.1
Isotope Atom Count 4
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