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92864-24-9

92864-24-9 structural image
Product Name: 5-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
Formula: C14H18O3
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COMPUTED DESCRIPTORS

Molecular Weight 234.29 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 234.125594432 g/mol
Monoisotopic Mass 234.125594432 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 285
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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