Alternative Energy / Alfa Chemistry

Calcium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate dihydrate

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Calcium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate dihydrate

Catalog Number
ACM141572909-1
CAS
141572-90-9
IUPAC Name
Calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;dihydrate
Synonyms
Calcium hexafluoroacetylacetonate dihydrate
Molecular Weight
454.18

Product Information

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.O.O.[Ca+2]
InChI
InChI=1S/2C5H2F6O2.Ca.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;2*1H2/q;+2;/p-2/b2*2-1-;
InChI Key
CSKMJQHMZGBTNJ-LJDKTGGESA-L
Melting Point
135-140 °C
Purity
95%+
Appearance
Off-white powder
Complexity
210
Covalently-Bonded Unit Count
5
Exact Mass
489.9598667
Heavy Atom Count
29
Monoisotopic Mass
489.9598667
Topological Polar Surface Area
82.3 Ų
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