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ER(FOD)3

CAS No.:
17978-75-5
Catalog Number:
AG003PXP
Molecular Formula:
C30H30Er2F21O6+++
Molecular Weight:
1220.0401
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Product Description
Catalog Number:
AG003PXP
Chemical Name:
ER(FOD)3
CAS Number:
17978-75-5
Molecular Formula:
C30H30Er2F21O6+++
Molecular Weight:
1220.0401
MDL Number:
MFCD00074990
IUPAC Name:
erbium;(Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
InChI:
InChI=1S/3C10H11F7O2.Er/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:
LEHFMLQRGJCLOZ-VNGPFPIXSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].[Er+3].[Er+3]
Properties
Complexity:
1350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
1054.124g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
27  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
1055.813g/mol
Monoisotopic Mass:
1054.124g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties