[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, 1,1-dimethylethyl ester


Chemical Name: [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, 1,1-dimethylethyl ester
CAS Number: 114772-36-0
Product Number: AG000F71(AGN-PC-0MUCMH)
Synonyms:
MDL No:
Molecular Formula: C18H20O2
Molecular Weight: 268.3502

Identification/Properties


Computed Properties
Molecular Weight:
268.356g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
268.146g/mol
Monoisotopic Mass:
268.146g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
321
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 tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate is a versatile compound commonly utilized in chemical synthesis as a building block for various organic molecules. Due to its unique molecular structure, it serves as a key intermediate in the synthesis of novel materials, pharmaceuticals, and agrochemicals. Its strategic placement of functional groups allows for selective modification, enabling the introduction of specific attributes or functionalities into target molecules. This compound plays a crucial role in the development of diverse organic compounds with tailored properties for a wide range of applications in the fields of materials science, medicinal chemistry, and agricultural chemistry.