(Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;lanthanum

Catalog Number	ACM14319132-2
CAS	14319-13-2
Structure
Synonyms	Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)lanthanum
Molecular Weight	691.7
Molecular Formula	C33H60LaO6
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.[La]
InChI	InChI=1S/3C11H20O2.La/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key	VTNJXVDFRGBYJC-LWTKGLMZSA-N
Melting Point	128-131 °C
Purity	99%+
Appearance	Powder
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	691.345353
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[La]
Monoisotopic Mass	691.345353
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų