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21055-39-0

21055-39-0 structural image
Product Name: METHYL 2-ISOTHIOCYANATO PROPIONATE
Formula: C5H7NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 145.18 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 145.01974964 g/mol
Monoisotopic Mass 145.01974964 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 151
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