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17960-38-2

17960-38-2 structural image
Product Name: 4-OXO-4-(THIOPHEN-2-YL)BUTANENITRILE
Formula: C8H7NOS
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COMPUTED DESCRIPTORS

Molecular Weight 165.21 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 165.02483502 g/mol
Monoisotopic Mass 165.02483502 g/mol
Topological Polar Surface Area 69.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 194
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