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77280-68-3

77280-68-3 structural image
Product Name: 1-(4-thiazolyl)-3-cyano-1-propanone
Formula: C7H6N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 166.20 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 166.02008399 g/mol
Monoisotopic Mass 166.02008399 g/mol
Topological Polar Surface Area 82 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 196
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

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