[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-


Chemical Name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-
CAS Number: 114691-92-8
Product Number: AG000F24(AGN-PC-0L735Y)
Synonyms:
MDL No:
Molecular Formula: C15H12O3
Molecular Weight: 240.2540

Identification/Properties


Computed Properties
Molecular Weight:
240.258g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
240.079g/mol
Monoisotopic Mass:
240.079g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
308
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:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid is a versatile compound frequently employed in chemical synthesis for its unique properties and diverse applications. As a key building block in organic chemistry, this compound acts as a crucial intermediate in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. Its acetyl and carboxylic acid functional groups allow for selective modifications, enabling chemists to regulate reactivity and tailor molecular structures for desired properties. In complex organic transformations, 4'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid serves as a valuable substrate for the construction of intricate molecular frameworks, making it an indispensable tool in the creation of novel compounds with potential applications in medicinal chemistry, material science, and beyond.