4-Pyridinecarboxylic acid, methyl ester, 1-oxide


Chemical Name: 4-Pyridinecarboxylic acid, methyl ester, 1-oxide
CAS Number: 3783-38-8
Product Number: AG003S44(AGN-PC-0JOCWE)
Synonyms:
MDL No:
Molecular Formula: C7H7NO3
Molecular Weight: 153.13538

Identification/Properties


Properties
MP:
116.5-118.5℃(Solv: ethyl acetate (141-78-6))
BP:
340.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
153.137g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
153.043g/mol
Monoisotopic Mass:
153.043g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
141
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-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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