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


Chemical Name: 3-Pyridinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-
CAS Number: 38116-61-9
Product Number: AG003HF2(AGN-PC-0JM0ZQ)
Synonyms:
MDL No: MFCD00006272
Molecular Formula: C7H7NO3
Molecular Weight: 153.1354

Identification/Properties


Properties
MP:
234-238 °C
BP:
414.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
153.137g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
153.043g/mol
Monoisotopic Mass:
153.043g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
275
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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