Samarium trifluoroacetylacetonate

Catalog Number	ACM23301828-2
CAS	23301-82-8
Structure
Synonyms	Tris-(1,1,1-trifluoro-2,4-pentanedionato-O,O'')-samarium
IUPAC Name	Samarium;(Z)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
Molecular Weight	612.6
Molecular Formula	C15H15F9O6Sm
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.[Sm]
InChI	InChI=1S/3C5H5F3O2.Sm/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,9H,1H3;/b3*3-2-;
InChI Key	UTYHITGCKAOKLV-IQMQLBNYSA-N
Purity	Sm 99%
Appearance	White powder
Complexity	606
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	613.99223
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.[Sm]
Monoisotopic Mass	613.99223
Rotatable Bond Count	3
Topological Polar Surface Area	112 Ų