3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, diethyl ester


Chemical Name: 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, diethyl ester
CAS Number: 1149-24-2
Product Number: AG000FFE(AGN-PC-0JOIZL)
Synonyms:
MDL No:
Molecular Formula: C13H17NO4
Molecular Weight: 251.2784

Identification/Properties


Properties
MP:
72-74 °C
BP:
208°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4800 (estimate)
Computed Properties
Molecular Weight:
251.282g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
251.116g/mol
Monoisotopic Mass:
251.116g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
277
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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