Benzoic acid, 4-(2-oxo-1-piperidinyl)-


Chemical Name: Benzoic acid, 4-(2-oxo-1-piperidinyl)-
CAS Number: 175153-03-4
Product Number: AG0020D3(AGN-PC-0LW71G)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Properties
BP:
508.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
282
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The 4-(2-Oxopiperidin-1-yl)benzoic acid is a versatile compound commonly used in organic chemistry as an intermediate in chemical synthesis. One of its key applications is in the synthesis of pharmaceuticals and agrochemicals, where it serves as a building block for the creation of more complex molecules. Its functional groups allow for further derivatization to introduce specific attributes or properties required for the final product. Additionally, this compound can be employed in the development of new materials or in research settings to explore novel chemical reactions and pathways. Its structural features make it a valuable tool for chemists seeking to design and produce diverse compounds with potential biological or industrial significance.