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54458-28-5

54458-28-5 structural image
Product Name: 3-OXO-3-(2,4,6-TRIMETHYLPHENYL)PROPIONIC ACID
Formula: C14H18O3
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COMPUTED DESCRIPTORS

Molecular Weight 234.29 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
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 43.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 273
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes