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Tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione)europium

Catalog Number ACM17631684
CAS 17631-68-4
Structure Tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione)europium
Synonyms Europium;(Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
Molecular Weight 1040.51
Molecular Formula C30H33EuF21O6
Canonical SMILES CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.[Eu]
InChI InChI=1S/3C10H11F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/b3*5-4-;
InChI Key UDXLMYFGTHAWDC-VNGPFPIXSA-N
Melting Point 203-207 °C
Purity 98%
Appearance Solid
Complexity 1350
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 1041.11542
Heavy Atom Count 58
Hydrogen Bond Acceptor Count 27
Hydrogen Bond Donor Count 3
Isomeric SMILES CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.[Eu]
Monoisotopic Mass 1041.11542
Rotatable Bond Count 9
Topological Polar Surface Area 112 Ų

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