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404582-98-5

404582-98-5 structural image
Product Name: ETHYL R-2-ACETYLTHIO-3-PHENYLPROPIONATE
Formula: C13H16O3S
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COMPUTED DESCRIPTORS

Molecular Weight 252.33 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 252.08201554 g/mol
Monoisotopic Mass 252.08201554 g/mol
Topological Polar Surface Area 68.7 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 259
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes