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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.
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.
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 ...
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 ...
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 ...
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.
Chemical nomenclature, replete as it is with compounds with very complex names, is a repository for some names that may be considered unusual. A browse through the Physical Constants of Organic Compounds in the CRC Handbook of Chemistry and Physics (a fundamental resource) will reveal not just the whimsical work of chemists, but the sometimes peculiar compound names that occur as the ...
Hexafluoroisopropanol, commonly abbreviated HFIP, is the organic compound with the formula (CF 3) 2 CHOH. This fluoroalcohol finds use as solvent in organic chemistry. [1] Hexafluoro-2-propanol is transparent to UV light with high density, low viscosity and low refractive index. It is a colorless, volatile liquid with a pungent odor.