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53716-61-3

53716-61-3 structural image
Product Name: SEC-BUTANOL-1,1,1-D3
Formula: C4H7D3O
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COMPUTED DESCRIPTORS

Molecular Weight 77.14 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 77.091995176 g/mol
Monoisotopic Mass 77.091995176 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 19.6
Isotope Atom Count 3
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes