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"Glacial acetic acid" is a name for water-free acetic acid. Similar to the German name "Eisessig" ("ice vinegar"), the name comes from the solid ice-like crystals that form with agitation, slightly below room temperature at 16.6 °C (61.9 °F). Acetic acid can never be truly water-free in an atmosphere that contains water, so the presence of 0. ...
Freeware: Software by NIST for compression of structure with mass spectra. The program seeks to find mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode) and correlates mass spectral peaks to a probable origin structure. It contains an isotope calculator and other features and on-line help.
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 ...
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Acetic anhydride, like most organic acid anhydrides, is a flexible molecule with a nonplanar structure. [4] The pi system linkage through the central oxygen offers very weak resonance stabilization compared to the dipole-dipole repulsion between the two carbonyl oxygens. The energy barriers to bond rotation between each of the optimal aplanar ...
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
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.