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1184973-36-1

1184973-36-1 structural image
Product Name: 5-METHYL-D3-5-PROPYL-2-DIOXANONE
Formula: C8H11D3O3
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COMPUTED DESCRIPTORS

Molecular Weight 161.21 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 161.113124542 g/mol
Monoisotopic Mass 161.113124542 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 143
Isotope Atom Count 3
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