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26115-81-1

26115-81-1 structural image
Product Name: Valerophenone, 3,4-dihydroxy-4-methyl- (8CI)
Formula: C12H16O3
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COMPUTED DESCRIPTORS

Molecular Weight 208.25 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 208.109944368 g/mol
Monoisotopic Mass 208.109944368 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 217
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

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