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176688-98-5

176688-98-5 structural image
Product Name: (5-METHOXY-1-METHYL-1H-INDOL-3-YL)ACETONITRILE
Formula: C12H12N2O
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COMPUTED DESCRIPTORS

Molecular Weight 200.24 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 200.094963011 g/mol
Monoisotopic Mass 200.094963011 g/mol
Topological Polar Surface Area 38 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 270
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