Tris(2,4-pentanedionato)lanthanum(III) hydrate

Catalog Number	ACM64424120-2
CAS	64424-12-0
Structure
Synonyms	Lanthanum(III) acetylacetonate hydrate
Molecular Weight	436.23
Molecular Formula	C15H21LaO6
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[La+3]
InChI	InChI=1S/3C5H8O2.La/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;+3/p-3/b3*4-3-;
InChI Key	HDIBUQNJDKISLA-LNTINUHCSA-K
Melting Point	143 °C
Purity	99%+
Appearance	Powder
Complexity	90.4
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	436.040176
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[La+3]
Monoisotopic Mass	436.040176
Rotatable Bond Count	3
Topological Polar Surface Area	120 Ų