Tris(eta5-2,4-cyclopentadien-1-yl)neodymium

Catalog Number	ACM1273989-1
CAS	1273-98-9
Structure
Synonyms	Neodymium (III) tris(cyclopentadienyl)
IUPAC Name	Cyclopenta-1,3-diene;neodymium(3+)
Molecular Weight	339.52
Molecular Formula	C15H15Nd
Canonical SMILES	[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Nd+3]
InChI	InChI=1S/3C5H5.Nd/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
InChI Key	JQMGKZUFOXNIOS-UHFFFAOYSA-N
Boiling Point	220 °C/0.01mmHg (lit.)
Melting Point	~235 °C
Flash Point	168 °F
Purity	Nd 99%
Appearance	Blue to purple powder
Complexity	86.8
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	337.0251
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	337.0251
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų