4-Pyridinecarboxaldehyde, oxime


Chemical Name: 4-Pyridinecarboxaldehyde, oxime
CAS Number: 696-54-8
Product Number: AG003M0F(AGN-PC-0OGSBQ)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O
Molecular Weight: 122.1246

Identification/Properties


Properties
MP:
131-133 °C
BP:
227.52°C (rough estimate)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5350 (estimate)
Solubility:
10g/l
Computed Properties
Molecular Weight:
122.127g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
122.048g/mol
Monoisotopic Mass:
122.048g/mol
Topological Polar Surface Area:
45.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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