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Homecas898788-04-0

898788-04-0

898788-04-0 structural image
Product Name: 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRIC ACID
Formula: C12H8F6O3
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COMPUTED DESCRIPTORS

Molecular Weight 314.18 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 314.03776309 g/mol
Monoisotopic Mass 314.03776309 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 379
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