3-Pyridinecarboxylic acid, 1,6-dihydro-5-nitro-6-oxo-


Chemical Name: 3-Pyridinecarboxylic acid, 1,6-dihydro-5-nitro-6-oxo-
CAS Number: 6635-31-0
Product Number: AG003N8L(AGN-PC-0JOH2D)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O5
Molecular Weight: 184.1064

Identification/Properties


Properties
MP:
269-271
BP:
463.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
184.107g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
184.012g/mol
Monoisotopic Mass:
184.012g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
349
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:
H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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