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75380-98-2

75380-98-2 structural image
Product Name: 2-METHYL-4-OXO-4-(4'-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
Formula: C12H11F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 260.21 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 260.06602869 g/mol
Monoisotopic Mass 260.06602869 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 317
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