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chemical database small molecules "ChemDB". 5,000,000 ChemExper Chemexper Chemical Directory catalogue chemicals 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
Organic Compounds Database Free compound search by structure; Chemical catalog Compounds, analytical data; Chmoogle The free chemistry search engine; PubChem Compound, substance, and bioactivity data; NCI Database Compound, substance, and bioactivity data, advanced search panel; NIST Chemistry WebBook Compound data and spectra
Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD) To link to a specific substance, the id parameter needs to be supplied. An example using all available parameters is the following:
For example, a chemical database might store a molecule with stereochemistry unspecified, whereas a chemical registry system requires the registrar to specify whether the stereo configuration is unknown, a specific (known) mixture, or racemic. Each of these would be considered a different record in a chemical registry system.
This is a list of CAS numbers by chemical formulas and chemical compounds, indexed by formula.The CAS number is a unique number applied to a specific chemical by the Chemical Abstracts Service (CAS).This list complements alternative listings to be found at list of inorganic compounds and glossary of chemical formulae
The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
For example, values of the Gibbs energy obtained from high-temperature equilibrium emf methods must be identical to those calculated from calorimetric measurements of the enthalpy and entropy values. The database provider must use recognized data analysis procedures to resolve differences between data obtained by different types of experiments.
This is most simply done by clicking on the red link in the table Supplementary data page, then type {{subst:Chembox supplement}}. Save the page, then edit to enter the information. Save the page, then edit to enter the information.