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70817-53-7

70817-53-7 structural image
Product Name: Butanal, 4,4,4-trifluoro-3-oxo-
Formula: C4H3F3O2
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COMPUTED DESCRIPTORS

Molecular Weight 140.06 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 140.00851382 g/mol
Monoisotopic Mass 140.00851382 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 126
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