CID5249414 structure

CID5249414

cerium;2-hydroxybenzoic acid;hexakis((2-hydroxycyclohexyl)methanediol);(2-hydroxyphenyl)methanediol;tris(iron(2+));iron(3+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tridecahydrate

CAS: 7233-48-9
Molecular Formula C96H192Ce4Fe4N8O37+
Molecular Weight 2832.7004 g/mol
LogP 1.0803
Topological Polar Surface Area 1004.66 Ų
Hydrogen Bond Donors 23
Hydrogen Bond Acceptors 23
Rotatable Bonds 12
Exact Mass 2832.7004
Monoisotopic Mass 2833.7036
Heavy Atoms 149
Complexity 2867.623

Chemical Identifiers

CAS Number 7233-48-9
SMILES C1CCC(C(C1)C(O)O)O.C1CCC(C(C1)C(O)O)O.C1CCC(C(C1)C(O)O)O.C1CCC(C(C1)C(O)O)O.C1CCC(C(C1)C(O)O)O.C1CCC(C(C1)C(O)O)O.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2=CC=CC[N-]2.C1=CC=C(C(=C1)C(O)O)O.C1=CC=C(C(=C1)C(=O)O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Ce].[Ce].[Ce].[Ce]

Product Overview

CID5249414 (CAS 7233-48-9), with molecular formula C96H192Ce4Fe4N8O37+ and molecular weight 2832.7004 g/mol. IUPAC: cerium;2-hydroxybenzoic acid;hexakis((2-hydroxycyclohexyl)methanediol);(2-hydroxyphenyl)methanediol;tris(iron(2+));iron(3+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tridecahydrate.

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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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