101519-13-5 Purity
96%
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Specification
The molecular formula of Calcium cyclohexanebutyrate is C20H34CaO4.
The molecular weight of Calcium cyclohexanebutyrate is 378.6 g/mol.
The parent compound of Calcium cyclohexanebutyrate is 4-Cyclohexylbutyric acid.
The synonyms of Calcium cyclohexanebutyrate are Calcium cyclohexanebutanoate, Calcium bis(4-cyclohexylbutanoate), and Cyclohexanebutanoicacid, calcium salt (2:1).
The IUPAC name of Calcium cyclohexanebutyrate is calcium;4-cyclohexylbutanoate.
The InChI of Calcium cyclohexanebutyrate is InChI=1S/2C10H18O2.Ca/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2.
The InChIKey of Calcium cyclohexanebutyrate is HJZOVZBKGRJCRX-UHFFFAOYSA-L.
The canonical SMILES of Calcium cyclohexanebutyrate is C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ca+2].
The CAS number of Calcium cyclohexanebutyrate is 110861-66-0.
Yes, Calcium cyclohexanebutyrate is a canonicalized compound according to PubChem.