Isoquinoline


Chemical Name: Isoquinoline
CAS Number: 119-65-3
Product Number: AG000OZY(AGN-PC-03G819)
Synonyms:
MDL No:
Molecular Formula: C9H7N
Molecular Weight: 129.1586

Identification/Properties


Computed Properties
Molecular Weight:
129.162g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
129.058g/mol
Monoisotopic Mass:
129.058g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
111
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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