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690-76-6

690-76-6 structural image
Product Name: Propanoic acid, 3-amino-3-thioxo-, 1,1-dimethylethyl ester
Formula: C7H13NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 175.25 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 175.06669983 g/mol
Monoisotopic Mass 175.06669983 g/mol
Topological Polar Surface Area 84.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 172
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