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86560-20-5

86560-20-5 structural image
Product Name: 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxy(2-methylphenyl)methyl)-3-met hyl-
Formula: C18H22O3
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COMPUTED DESCRIPTORS

Molecular Weight 286.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 286.15689456 g/mol
Monoisotopic Mass 286.15689456 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 445
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