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898752-52-8

898752-52-8 structural image
Product Name: ETHYL 5-OXO-5-(3,4,5-TRIFLUOROPHENYL)VALERATE
Formula: C13H13F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 274.23 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 274.08167876 g/mol
Monoisotopic Mass 274.08167876 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 310
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