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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool ACS Green Chemistry Institute: Solvents Principal components analysis of physical properties curated "Solvent ...
Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.
Glassware can be soaked in a detergent solution to remove grease and loosen most contaminations, these contaminations are then scrubbed with a brush or scouring pad to remove particles which cannot be rinsed. Sturdy glassware may be able to withstand sonication as an alternative to scrubbing. Solvents are used to remove organic residues that ...
The CAS Chemical Registry System was introduced in 1965. CAS developed a unique registry number to identify chemical substances. Agencies such as the U.S. Environmental Protection Agency and local fire departments around the world now rely on these numbers for the definite identification of substances. According to the ACS, this is the largest ...
This type has a tube at the bottom of the collection vessel to allow the organic solvent at the bottom to flow back into the reaction vessel. The water generated during the reaction floats on top of the organic phase. The entire volume must be drained to remove the water and the organic layer can be separated to be returned to the system.
Flat-bottomed flask: A flask with similar uses as the round-bottom flask, but with a flat bottom that allows it to stand on a level surface.; Florence flask: A flask similar to the flat-bottomed flask that has round bodies and either a round bottom or a flat bottom so that one can stand the flask on a level surface.
OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. [4] Its focus is to handle native data files from several mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS), vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others.