4-Pentenoic acid, 4-methyl-


Chemical Name: 4-Pentenoic acid, 4-methyl-
CAS Number: 1001-75-8
Product Number: AG0000XX(AGN-PC-0LPKNJ)
Synonyms:
MDL No:
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
105
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Methylpent-4-enoic acid, also known as 4-Methylpent-4-enoic acid, is a versatile compound that finds wide application in chemical synthesis. It serves as a valuable building block in organic chemistry due to its unique structure and reactivity. When employed in chemical reactions, 4-Methylpent-4-enoic acid can undergo various transformations to yield a range of important intermediate products with diverse functionalities.One key application of 4-Methylpent-4-enoic acid lies in its use as a precursor for the synthesis of pharmaceuticals. By incorporating this compound into the synthesis of drug molecules, chemists can introduce specific functional groups and enhance the biological activity and efficacy of the final pharmaceutical product. Additionally, 4-Methylpent-4-enoic acid can be utilized in the preparation of fine chemicals and specialty materials, where its reactivity and structural features play a crucial role in determining the properties of the end products.Furthermore, 4-Methylpent-4-enoic acid can participate in various synthetic pathways for the production of agrochemicals, fragrances, and other industrially important compounds. Its versatile nature allows chemists to manipulate its structure effectively, enabling the generation of tailored molecules for specific applications. Overall, the role of 4-Methylpent-4-enoic acid in chemical synthesis extends across multiple sectors, showcasing its significance as a valuable tool in the creation of diverse chemical products.