(Z)-1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one;neodymium

Catalog Number	ACM17978766-1
CAS	17978-76-6
Structure
Synonyms	Tris(6,6,7,7,8,8,8-heptafluoro-2,2-diMethyl-3,5-octanedionate)neodyMiuM(III)
Molecular Weight	1032.8
Molecular Formula	C30H33F21NdO6
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Nd]
InChI	InChI=1S/3C10H11F7O2.Nd/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/b3*5-4-;
InChI Key	BSBAMHYQBVHEIF-VNGPFPIXSA-N
Melting Point	206-208 °C
Purity	99%+
Appearance	Solid
Complexity	1350
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1030.10191
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	27
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Nd]
Monoisotopic Mass	1030.10191
Rotatable Bond Count	12
Topological Polar Surface Area	112 Ų