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36684-44-3

36684-44-3 structural image
Product Name: 1,4-BUTANE-1,1,4,4-D4-DIOL
Formula: C4H6D4O2
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COMPUTED DESCRIPTORS

Molecular Weight 94.15 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 94.093186541 g/mol
Monoisotopic Mass 94.093186541 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 17.5
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