Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-


Chemical Name: Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CAS Number: 50772-35-5
Product Number: AG003JYN(AGN-PC-0JPRN5)
Synonyms:
MDL No:
Molecular Formula: C20H32O3
Molecular Weight: 320.4663

Identification/Properties


Properties
MP:
99-101 °C
BP:
444.9 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
320.473g/mol
XLogP3:
6.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
9
Exact Mass:
320.235g/mol
Monoisotopic Mass:
320.235g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
373
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



4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. Its unique chemical structure makes it a valuable component in the production of various functional materials and intermediates. In organic synthesis, $name$ serves as an important building block for the creation of novel organic molecules and polymers. Its presence in a reaction mixture can facilitate the formation of specific chemical bonds, enabling the synthesis of complex structures with high efficiency. Additionally, $name$ can be employed as a key reagent in the modification of biomolecules and pharmaceutical compounds, offering opportunities for the development of new therapeutic agents and drug delivery systems. With its broad applicability and versatile chemical properties, $name$ plays a crucial role in advancing the field of chemical synthesis and expanding the possibilities for molecular design and innovation.