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Barium fod,dihydrate

Catalog Number
ACM118360706-1
CAS
118360-70-6
IUPAC Name
Barium(2+);(Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate
Synonyms
3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-, ion(1-), barium (2:1)
Molecular Weight
727.7
Product Information
Canonical SMILES
CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Ba+2]
InChI
InChI=1S/2C10H11F7O2.Ba/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4,18H,1-3H3;/q;+2/p-2/b2*5-4-;
InChI Key
NCPWXEUADOWGIO-SJGYQHGCSA-L
Melting Point
194-198 °C
Purity
95%+
Appearance
Solid
Complexity
858
Covalently-Bonded Unit Count
3
Exact Mass
728.01905
Heavy Atom Count
39
Monoisotopic Mass
728.01905
Topological Polar Surface Area
80.3 Ų
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