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845781-47-7

845781-47-7 structural image
Product Name: 5-(4-TERT-BUTYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
Formula: C16H22O3
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COMPUTED DESCRIPTORS

Molecular Weight 262.34 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 262.15689456 g/mol
Monoisotopic Mass 262.15689456 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 319
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