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111599-07-6

111599-07-6 structural image
Product Name: (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
Formula: C11H12N2
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COMPUTED DESCRIPTORS

Molecular Weight 172.23 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 172.100048391 g/mol
Monoisotopic Mass 172.100048391 g/mol
Topological Polar Surface Area 35.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 215
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes