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  2. International Chemical Identifier - Wikipedia

    en.wikipedia.org/wiki/International_Chemical...

    IUPAC/InChI Trust InChI Licence 1.0 Support for elements 113-118 added. Experimental polymer support. Experimental large molecule support. RInChI v. 1.00 March 2017 IUPAC/InChI Trust InChI Licence 1.0, and BSD-style Computes reaction InChIs. [16] InChI v. 1.06 Dec. 2020 IUPAC/InChI Trust InChI Licence 1.0 [10] Revised polymer support. InChI v ...

  3. 1,2-Diiodoethane - Wikipedia

    en.wikipedia.org/wiki/1,2-Diiodoethane

    1,2-Diiodoethane can be prepared by the reaction of ethylene with iodine (I 2): [2] C 2 H 4 + I 2 ⇌ C 2 H 4 I 2. 1,2-Diiodoethane is most commonly used in organic synthesis in the preparation of samarium(II) iodide or ytterbium(II) iodide in an inert solvent such as THF. [3] Sm + ICH 2 CH 2 I → SmI 2 + H 2 C=CH 2

  4. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    PubChem ChEMBL SMILES InChI LSM "LINCS". 43,700 LipidBank Japanese Conference on the Biochemistry of Lipids lipids "LipidBank". 7,009 LMSD LIPID MAPS Structure Database Lipids HMDB ChEBI PubChem InChI LMFA "LMSD". 44701 LOLI: List of Lists safety data sheets, regulation "LOLI". Mcule supplied chemicals InChI, SMILES, SDF, physichochemical ...

  5. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    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.

  6. Allyl alcohol - Wikipedia

    en.wikipedia.org/wiki/Allyl_alcohol

    Allyl alcohol (IUPAC name: prop-2-en-1-ol) is an organic compound with the structural formula CH 2 =CHCH 2 OH. Like many alcohols, it is a water-soluble, colourless liquid. It is more toxic than typical small alcohols. Allyl alcohol is used as a precursor to many specialized compounds such as flame-resistant materials, drying oils, and ...

  7. 1,1,6-Trimethyl-1,2-dihydronaphthalene - Wikipedia

    en.wikipedia.org/wiki/1,1,6-trimethyl-1,2-di...

    1,1,6-Trimethyl-1,2-dihydronaphthalene (TDN) is an aroma compound present in wine, [1] particularly aged Rieslings. [ 2 ] [ 3 ] Chemically, it is classified as a 13C-norisoprenoid, as it has thirteen carbon atoms, and is derived from an isoprenoid by the loss of methylene groups.

  8. Acetyl group - Wikipedia

    en.wikipedia.org/wiki/Acetyl_group

    In IUPAC nomenclature, an acetyl group is called an ethanoyl group. An acetyl group contains a methyl group ( −CH 3 ) that is single-bonded to a carbonyl ( C=O ), making it an acyl group . The carbonyl center of an acyl radical has one non-bonded electron with which it forms a chemical bond to the remainder (denoted with the letter R ) of the ...

  9. Ethanol - Wikipedia

    en.wikipedia.org/wiki/Ethanol

    Ethanol (also called ethyl alcohol, grain alcohol, drinking alcohol, or simply alcohol) is an organic compound with the chemical formula CH 3 CH 2 OH.It is an alcohol, with its formula also written as C 2 H 5 OH, C 2 H 6 O or EtOH, where Et stands for ethyl.