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14618-94-1

14618-94-1 structural image
Product Name: 5-(4-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
Formula: C13H16O3
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COMPUTED DESCRIPTORS

Molecular Weight 220.26 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 220.109944368 g/mol
Monoisotopic Mass 220.109944368 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 252
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