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63220-36-0

63220-36-0 structural image
Product Name: O-benzyl carbonisothiocyanatidate
Formula: C9H7NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 193.22 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 193.01974964 g/mol
Monoisotopic Mass 193.01974964 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 218
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