4-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-


Chemical Name: 4-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS Number: 188554-13-4
Product Number: AG002GYU(AGN-PC-0K69ER)
Synonyms:
MDL No:
Molecular Formula: C6H5NO2
Molecular Weight: 123.1094

Identification/Properties


Properties
MP:
79-81℃
BP:
333.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
123.111g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
123.032g/mol
Monoisotopic Mass:
123.032g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
203
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#:
N/A
Hazard Statements:
H302-H315-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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