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116477-44-2

116477-44-2 structural image
Product Name: N-acetyl-S-(1-cyano-2-hydroxyethyl)cysteine
Formula: C8H12N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 232.26 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 232.05177804 g/mol
Monoisotopic Mass 232.05177804 g/mol
Topological Polar Surface Area 136 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 286
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes