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898759-41-6

898759-41-6 structural image
Product Name: 2-(3,5,5-TRIMETHYLHEXANOYL)OXAZOLE
Formula: C9H10F3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 209.28 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 209.141578849 g/mol
Monoisotopic Mass 209.141578849 g/mol
Topological Polar Surface Area 43.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes