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35845-67-1

35845-67-1 structural image
Product Name: 1,5-DI-TERT-BUTYL-1,4-PENTADIYN-3-ONE
Formula: C13H18O
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COMPUTED DESCRIPTORS

Molecular Weight 190.28 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 190.135765193 g/mol
Monoisotopic Mass 190.135765193 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 310
Isotope Atom Count 0
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