Benzenepropanoic acid, 4-methyl-


Chemical Name: Benzenepropanoic acid, 4-methyl-
CAS Number: 1505-50-6
Product Number: AG001MNT(AGN-PC-0JLBAA)
Synonyms:
MDL No:
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
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

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NMR Spectrum


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Chemical Structure



3-(p-Tolyl)propanoic acid, also known as para-tolylpropionic acid, serves as a versatile building block in chemical synthesis due to its unique structural properties and reactivity. 1. Drug Development: This compound is frequently used in the pharmaceutical industry as a key intermediate in the synthesis of various drugs and pharmaceuticals. Its structure can be modified to introduce specific functional groups or pharmacophores, allowing for the creation of new drug candidates or analogs with improved properties.2. Organic Synthesis: 3-(p-Tolyl)propanoic acid is commonly employed in organic synthesis for the preparation of complex molecules and fine chemicals. Its structure contains a benzene ring that can undergo various functional group transformations, enabling chemists to access a wide range of derivatives with diverse applications.3. Ligand Synthesis: In coordination chemistry, this acid can be utilized to synthesize ligands that form stable complexes with metal ions. These complexes have proven useful in catalysis, material science, and bioinorganic chemistry, demonstrating the significance of 3-(p-Tolyl)propanoic acid in ligand design and coordination chemistry.Overall, the versatility and reactivity of 3-(p-Tolyl)propanoic acid make it a valuable tool in chemical synthesis, enabling the creation of novel molecules with diverse applications across various scientific disciplines.