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21055-41-4

21055-41-4 structural image
Product Name: Methyl L-2-isothiocyanato-3-methylbutyrate
Formula: C7H11NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 173.24 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 173.05104977 g/mol
Monoisotopic Mass 173.05104977 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 185
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes