3-Pyridinecarboxylic acid, 5-nitro-


Chemical Name: 3-Pyridinecarboxylic acid, 5-nitro-
CAS Number: 2047-49-6
Product Number: AG0029NP(AGN-PC-0K6A4G)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O4
Molecular Weight: 168.1070

Identification/Properties


Computed Properties
Molecular Weight:
168.108g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
168.017g/mol
Monoisotopic Mass:
168.017g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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