Neodymium trifluoroacetylacetonate

Catalog Number	ACM37473679-1
CAS	37473-67-9
Structure
Synonyms	Tris-(1,1,1-trifluoro-2,4-pentanedionato-O,O'')-neodymium
IUPAC Name	Neodymium;(Z)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
Molecular Weight	606.5
Molecular Formula	C15H15F9NdO6
Canonical SMILES	CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.[Nd]
InChI	InChI=1S/3C5H5F3O2.Nd/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,9H,1H3;/b3*3-2-;
InChI Key	QAFZOVUCJWQXJN-IQMQLBNYSA-N
Boiling Point	195.6ºC at 760 mmHg
Melting Point	140 °C
Flash Point	72.1ºC
Purity	Nd 99%
Appearance	Bluish-pink crystal
Complexity	606
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	603.98022
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.[Nd]
Monoisotopic Mass	603.98022
Rotatable Bond Count	3
Topological Polar Surface Area	112 Ų