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175201-81-7

175201-81-7 structural image
Product Name: METHYL 4-CYANO-3-(1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
Formula: C11H8N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 232.26 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 232.03064868 g/mol
Monoisotopic Mass 232.03064868 g/mol
Topological Polar Surface Area 83.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 319
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