3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-
CAS Number: 21642-98-8
Product Number: AG003LMH(AGN-PC-0KL46B)
Synonyms:
MDL No: MFCD00975442
Molecular Formula: C7H6N2O2
Molecular Weight: 150.1347

Identification/Properties


Properties
MP:
293 °C
BP:
421.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Solubility:
Soluble in Dimethyl sulfoxide.
Computed Properties
Molecular Weight:
150.137g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
150.043g/mol
Monoisotopic Mass:
150.043g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
293
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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