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727388-72-9

727388-72-9 structural image
Product Name: 3-Hydroxy-thiobutyric acid S-phenyl ester
Formula: C10H12O2S
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COMPUTED DESCRIPTORS

Molecular Weight 196.27 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 196.05580079 g/mol
Monoisotopic Mass 196.05580079 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 164
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