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1020719-23-6

1020719-23-6 structural image
Product Name: 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4, DIACETATE
Formula: C8H6D4O4
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COMPUTED DESCRIPTORS

Molecular Weight 174.19 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 174.08301578 g/mol
Monoisotopic Mass 174.08301578 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 208
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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