AC1MIIEX structure

AC1MIIEX

5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid;piperazine

Also Known As: Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (1:1)|5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-benzenesulfonic Acid; Piperazine|5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid; piperazine|5-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}-2-hydroxybenzene-1-sulfonic acid--piperazine (1/1)

CAS: 58357-69-0
Molecular Formula C20H25ClN2O7S
Molecular Weight 472.1071 g/mol
LogP 2.2345
Topological Polar Surface Area 134.19 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 472.1071
Monoisotopic Mass 472.1071
Heavy Atoms 31
Complexity 979.5782

Chemical Identifiers

CAS Number 58357-69-0
SMILES CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1

Product Overview

AC1MIIEX (CAS 58357-69-0), with molecular formula C20H25ClN2O7S and molecular weight 472.1071 g/mol. IUPAC: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid;piperazine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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