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acetyl chloride SOCl 2 acetic acid (i) Li[AlH 4], ether (ii) H 3 O + ethanol Two typical organic reactions of acetic acid Acetic acid undergoes the typical chemical reactions of a carboxylic acid. Upon treatment with a standard base, it converts to metal acetate and water. With strong bases (e.g., organolithium reagents), it can be doubly deprotonated to give LiCH 2 COOLi. Reduction of acetic ...
Numerous organic compounds have other common names, often originating in historical source material thereof. The systematic IUPAC name is not always the preferred IUPAC name, for example, lactic acid is a common, and also the preferred, name for what systematic rules call 2-hydroxypropanoic acid.
The data includes a two-dimensional structure diagram and a smiles string for each compound. eMolecules supports fast substructure searching based on parts of the molecular structure. ChemExper is a commercial data base for molecular data. The search results include a two-dimensional structure diagram and a mole file for many compounds.
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]
Query structures may contain bonding patterns such as "single/aromatic" or "any" to provide flexibility. Similarly, the vertices which in an actual compound would be a specific atom may be replaced with an atom list in the query. Cis–trans isomerism at double bonds is catered for by giving a choice of retrieving only the E form, the Z form ...
Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.
CASno Structure SMILES "ChemExper". Chemxpert Database Chemxpert Chemical Database small molecules database buyers,suppliers "ChemxpertDB". 10,00000 Chemical Book East West University: commercially available compounds CASno, suppliers, properties "Chemical Book". 200,000 Chemical Register from 20,000 vendors CASno mainly from larger-scale suppliers