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40449-66-9

40449-66-9 structural image
Product Name: 1-(5-ACETYL-3-BUTYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
Formula: C14H18O4
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COMPUTED DESCRIPTORS

Molecular Weight 250.29 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 250.12050905 g/mol
Monoisotopic Mass 250.12050905 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 287
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