Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium
Catalog Number
ACM14768151-2
CAS
14768-15-1
IUPAC Name
Gadolinium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Synonyms
Gadolinium (III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
Molecular Weight
707.1
Molecular Formula
C33H57GdO6
Product Information
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-].[Gd+3]
InChI
InChI=1S/3C11H20O2.Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;+3/p-3/b3*8-7-;
InChI Key
DPHFYRREQBVMBY-LWTKGLMZSA-K
Boiling Point
295 °C
Melting Point
182-184 °C
Purity
Gd 99%
Appearance
Off-white crystal
Complexity
199
Covalently-Bonded Unit Count
4
Exact Mass
707.33963
Heavy Atom Count
40
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Monoisotopic Mass
707.33963
Rotatable Bond Count
9
Topological Polar Surface Area
120 Ų
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