Erbium(III) hexafluoroacetylacetonate hydrate

Catalog Number	ACM18923927-1
CAS	18923-92-7
Structure
Synonyms	Erbium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate
Molecular Weight	809.45
Molecular Formula	C15H8ErF18O7
Canonical SMILES	C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.[Er]
InChI	InChI=1S/3C5H2F6O2.Er.H₂O/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;1H2/b3*2-1-;
InChI Key	WLJRJAVIMPXKRE-AHUNZLEGSA-N
Purity	Er 99%
Appearance	Pink crystals
Storage	2-8 °C, Protect from light, stored under nitrogen
Complexity	834
Exact Mass	807.928561
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	25
Hydrogen Bond Donor Count	4
Isomeric SMILES	C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.O.[Er]
Monoisotopic Mass	807.928561
Rotatable Bond Count	3
Topological Polar Surface Area	113 Ų