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

Catalog Number	ACM15492474-1
CAS	15492-47-4
Structure
Synonyms	Neodymium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
IUPAC Name	5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;neodymium
Molecular Weight	697.1
Molecular Formula	C33H60NdO6
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.[Nd]
InChI	InChI=1S/3C11H20O2.Nd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;
InChI Key	WCCMEVRVLBRPNG-UHFFFAOYSA-N
Boiling Point	270 °C
Melting Point	209-212 °C
Flash Point	270 °C
Purity	Nd 99%
Appearance	Light purple crystal
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	694.34672
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Monoisotopic Mass	694.34672
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų