3,4-Pyridinedicarboxylic acid


Chemical Name: 3,4-Pyridinedicarboxylic acid
CAS Number: 490-11-9
Product Number: AG0033IW(AGN-PC-0JK9H9)
Synonyms:
MDL No:
Molecular Formula: C7H5NO4
Molecular Weight: 167.1189

Identification/Properties


Properties
MP:
262 °C
BP:
528.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6280 (estimate)
Solubility:
2.34g/l
Computed Properties
Molecular Weight:
167.12g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
167.022g/mol
Monoisotopic Mass:
167.022g/mol
Topological Polar Surface Area:
87.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
204
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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