7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-


Chemical Name: 7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-
CAS Number: 149355-52-2
Product Number: AG001LM7(AGN-PC-0N02L3)
Synonyms:
MDL No:
Molecular Formula: C10H10N2
Molecular Weight: 158.1998

Identification/Properties


Computed Properties
Molecular Weight:
158.204g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
158.084g/mol
Monoisotopic Mass:
158.084g/mol
Topological Polar Surface Area:
35.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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

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NMR Spectrum


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