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54928-91-5

54928-91-5 structural image
Product Name: ethyl 2-Mercaptocyclohex-1-enecarboxylate
Formula: C9H14O2S
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COMPUTED DESCRIPTORS

Molecular Weight 186.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 186.07145086 g/mol
Monoisotopic Mass 186.07145086 g/mol
Topological Polar Surface Area 27.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 209
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