Cyclohexanecarboxylic acid, 4-ethyl-


Chemical Name: Cyclohexanecarboxylic acid, 4-ethyl-
CAS Number: 91328-77-7
Product Number: AG00GSV9(AGN-PC-0K5ZAM)
Synonyms:
MDL No:
Molecular Formula: C9H16O2
Molecular Weight: 156.2221

Identification/Properties


Computed Properties
Molecular Weight:
156.225g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
156.115g/mol
Monoisotopic Mass:
156.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
135
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
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Ethylcyclohexanecarboxylic acid is a versatile compound commonly used in chemical synthesis as a building block for various organic reactions. Its unique structure allows it to participate in a range of transformations, making it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. This compound can undergo functional group transformations, such as esterification, amidation, and reduction, to introduce specific chemical functionalities into the desired target molecule. Additionally, its cyclohexane ring provides rigidity and stereochemical control, making it useful in the synthesis of chiral compounds. Overall, 4-Ethylcyclohexanecarboxylic acid plays a crucial role in the development of new molecules with diverse applications in the field of organic chemistry.