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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]
221.7 °c (431.1 °f; 494.8 k) Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify ( what is Y N ?)
Benzisothiazolinone (BIT) is an organic compound with the formula C 6 H 4 SN(H)CO. A white solid, it is structurally related to isothiazole , and is part of a class of molecules called isothiazolinones . [ 2 ]
1-Tetradecanol, or commonly myristyl alcohol (from Myristica fragrans – the nutmeg plant), is a straight-chain saturated fatty alcohol, with the molecular formula CH 3 (CH 2) 12 CH 2 OH. It is a white waxy solid that is practically insoluble in water, soluble in diethyl ether , and slightly soluble in ethanol .
Chemical formula Synonyms CAS number C 10 H 16 N 2 O 8: Ethylenediaminetetraacetic acid (EDTA): 6381–92–6 C 12 H 22 O 11: sucrose: 57–50–1 C 18 H 29 O 3 S: sodium dodecyl benzenesulfonate: 2155–30–0
Version 1.06 and was released in December 2020. [8] Prior to 1.04, the software was freely available under the open-source LGPL license. [9] Versions 1.05 and 1.06 used a custom license called IUPAC-InChI Trust License. [10] The current software version is 1.07.1 (August 2024), uses the MIT license, and may be downloaded from the InChI GitHub site.
p-Toluenesulfonic acid (PTSA, pTSA, or pTsOH) or tosylic acid (TsOH) is an organic compound with the formula CH 3 C 6 H 4 SO 3 H.It is a white extremely hygroscopic solid that is soluble in water, alcohols, and other polar organic solvents. [6]
Dodecanol / ˈ d oʊ ˈ d ɛ k ɑː n ɒ l /, or lauryl alcohol, is an organic compound produced industrially from palm kernel oil or coconut oil.It is a fatty alcohol. Sulfate esters of lauryl alcohol, especially sodium lauryl sulfate, are very widely used as surfactants.