3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester
CAS Number: 29681-46-7
Product Number: AG002Z3E(AGN-PC-00UQZP)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
MP:
54-59°C
BP:
250.9°C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
160
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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