[3,4'-Bipyridine]-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-


Chemical Name: [3,4'-Bipyridine]-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-
CAS Number: 78415-72-2
Product Number: AG003S4R(AGN-PC-0JK6SJ)
Synonyms:
MDL No:
Molecular Formula: C12H9N3O
Molecular Weight: 211.2194

Identification/Properties


Properties
MP:
>3000C
BP:
350.9°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5700 (estimate)
Solubility:
DMSO: >10 mg/mL
Computed Properties
Molecular Weight:
211.224g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
211.075g/mol
Monoisotopic Mass:
211.075g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
419
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


NMR Spectrum


Other Analytical Data


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