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68693-53-8

68693-53-8 structural image
Product Name: METHYL DL-2-ISOTHIOCYANATOBUTYRATE
Formula: C6H9NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 159.21 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 159.03539970 g/mol
Monoisotopic Mass 159.03539970 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 163
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