1076-97-7, Name is 1,4-Cyclohexanedicarboxylic acid, molecular formula is C8H12O4, HPLC of Formula: C8H12O4, belongs to Isoxazoles compound, is a common compound. In a patnet, author is Jezierska, A, once mentioned the new application about 1076-97-7.
Synthesis, X-ray crystallography and computer-aided design study of 5-amino-3-methylisoxazole-4-carboxylic acid N-(2,4,6-trimethylpyridinium)amide chlorate(VII) salt and its analogues
Experimental and theoretical investigations were performed for 5-amino-3-methyl-isoxazole-4-carboxylic acid N-(2,4,6-trimethylpyridinium)amide chlorate(VII) salt, which belongs to the group of isoxazole derivatives, potential antibacterial or antifungal agents. The results related to its synthesis and X-ray diffraction are presented. Quantum-chemical DFT calculations were carried out for the title molecule and its analogues. Atomic charges were calculated according to Bader’s Atoms In Molecules Theory in order to find the quantum similarities of the molecules. The Polarizable Continuum Model (SCRF/PCM) with water (epsilon = 78.39) as a solvent was used to determine the environment effects on molecular properties. The solid-state geometry optimization with Geodecker’s pseudopotentials and plane-wave basis set was used to compare experimental and calculated geometrical parameters for the title compound.
I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 1076-97-7 help many people in the next few years. HPLC of Formula: C8H12O4.
Reference:
Isoxazole – Wikipedia,
,Isoxazole | C3H3NO – PubChem