3594-90-9 Purity
96%
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Specification
The molecular formula of the compound is C11H21NO5S.
The molecular weight of the compound is 279.36 g/mol.
The IUPAC name of the compound is 3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate.
The InChI of the compound is InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3.
The InChIKey of the compound is BCAIDFOKQCVACE-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(=C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-].
The CAS number of the compound is 3637-26-1.
The XLogP3-AA value of the compound is 0.3.
The compound has 0 hydrogen bond donor counts.
The topological polar surface area of the compound is 91.9 Ų.