3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-


Chemical Name: 3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-
CAS Number: 36926-82-6
Product Number: AG00I7B3(AGN-PC-0KKQBZ)
Synonyms:
MDL No:
Molecular Formula: C10H6N2O
Molecular Weight: 170.1674

Identification/Properties


Computed Properties
Molecular Weight:
170.171g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
170.048g/mol
Monoisotopic Mass:
170.048g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
310
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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