2-(1H-Pyrazol-1-yl)propanoic acid


Chemical Name: 2-(1H-Pyrazol-1-yl)propanoic acid
CAS Number: 956722-93-3
Product Number: AG006BTA(AGN-PC-0WAJCA)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Properties
BP:
284.819°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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Chemical Structure



2-(1H-Pyrazol-1-yl)propanoic acid is a versatile compound that finds wide application in chemical synthesis. This compound serves as an essential building block in organic chemistry due to its unique structure and reactivity. In chemical synthesis, it can be utilized as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its pyrazole moiety imparts specific properties that make it valuable for creating diverse molecular structures with potential biological activities. Additionally, the propanoic acid group offers functionality for further derivatization, allowing for the customization of molecules for specific applications. Overall, 2-(1H-Pyrazol-1-yl)propanoic acid plays a crucial role in the synthesis of complex organic molecules with tailored properties and functions.