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10556-91-9

10556-91-9 structural image
Product Name: 4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER
Formula: C9H13F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 226.19 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 226.08167876 g/mol
Monoisotopic Mass 226.08167876 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 235
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