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29924-67-2

29924-67-2 structural image
Product Name: 2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile
Formula: C12H10N2O
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COMPUTED DESCRIPTORS

Molecular Weight 198.22 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 198.079312947 g/mol
Monoisotopic Mass 198.079312947 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 339
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

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