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1706431-44-8

1706431-44-8 structural image
Product Name: Proline, 4-(phenylthio)-, methyl ester
Formula: C12H15NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 237.32 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 237.08234989 g/mol
Monoisotopic Mass 237.08234989 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 241
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes