Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 83249-10-9, Name is 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid, SMILES is O=C(C1(C2)CC2(C(OC)=O)C1)O, in an article , author is Kabanda, Mwadham M., once mentioned of 83249-10-9, COA of Formula: https://www.ambeed.com/products/83249-10-9.html.
Benzoxazole, 1,2-benzisoxazole and 2,1-benzisoxazole are biologically active molecules with potential applications in drug design. Their interaction with aqueous medium in biological systems may be simulated by considering their interaction with explicit water molecules. Such studies provide information on the structures, energies and type of interactions stabilizing the resulting geometric systems. The objective of the current study was to utilize theoretical approaches to investigate the structures, stabilization energy and binding energy of benzox-azole-water, 1,2-benzisoxazole-water and 2,1-benzisoxazole-water complexes. The calculations were performed utilizing the density functional theory (DFT)/M06-2X/6-311++G(d, p) method and the DFT/omega B97XD method with both the 6-311++G(d, p) and the aug-cc-pVDZ basis sets. The results suggest that the stability of the different clusters depends on interrelated factors including the rings formed by intermolecular hydrogen bonds and the proton affinity (PA) or acidity of the atoms forming the intermolecular hydrogen bonds with the water molecules. A comparison across methods indicates that the results follow similar trends with different methods.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 83249-10-9 is helpful to your research. COA of Formula: https://www.ambeed.com/products/83249-10-9.html.
Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics