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Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)thulium(III)

Catalog Number ACM15631580-1
CAS 15631-58-0
Structure Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)thulium(III)
Synonyms (Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
IUPAC Name (Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;thulium
Molecular Weight 721.8
Molecular Formula C33H57O6Tm
Canonical SMILES CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Tm]
InChI InChI=1S/3C11H20O2.Tm/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key WBHFLBDKCXLASC-LWTKGLMZSA-N
Boiling Point 280 °C
Melting Point 169-172 °C
Purity Tm 99%
Appearance Off-white crystal
Complexity 801
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 721.373209
Heavy Atom Count 40
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Monoisotopic Mass 721.373209
Rotatable Bond Count 9
Topological Polar Surface Area 112 Ų

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