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21055-49-2

21055-49-2 structural image
Product Name: DIMETHYL L-ISOTHIOCYANATOSUCCINATE
Formula: C7H9NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 203.22 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 203.02522894 g/mol
Monoisotopic Mass 203.02522894 g/mol
Topological Polar Surface Area 97 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 247
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