3-Pyridinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-, methyl ester
CAS Number: 223788-08-7
Product Number: AG003ROQ(AGN-PC-00G6GZ)
Synonyms:
MDL No: MFCD18803546
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
BP:
341.219°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
289
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-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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