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175136-58-0

175136-58-0 structural image
Product Name: 4-OXO-4-(2,3,4,5,6-PENTAMETHYLPHENYL)BUT-2-ENOIC ACID
Formula: C15H18O3
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COMPUTED DESCRIPTORS

Molecular Weight 246.30 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 246.125594432 g/mol
Monoisotopic Mass 246.125594432 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 343
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes