4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester


Chemical Name: 4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester
CAS Number: 138715-82-9
Product Number: AG00192A(AGN-PC-00BZG7)
Synonyms:
MDL No: MFCD09032412
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Properties
BP:
296.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
56.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
215
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:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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