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688790-78-5

688790-78-5 structural image
Product Name: 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4
Formula: C4H2D4O2
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COMPUTED DESCRIPTORS

Molecular Weight 90.11 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 90.061886414 g/mol
Monoisotopic Mass 90.061886414 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 66
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

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