Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)barium triglyme adduct
Catalog Number
ACM149160452-1
CAS
149160-45-2
IUPAC Name
Barium(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Synonyms
Barium(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Molecular Weight
682.1
Molecular Formula
C30H56BaO8
Product Information
Canonical SMILES
CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].COCCOCCOCCOC.[Ba+2]
InChI
InChI=1S/2C11H20O2.C8H18O4.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9-3-5-11-7-8-12-6-4-10-2;/h2*7,12H,1-6H3;3-8H2,1-2H3;/q;+2/p-2/b2*8-7+;
InChI Key
YTNLOLOFSZXOQX-COYDWXKQSA-L
Melting Point
88 °C
Purity
Ba 99%
Appearance
Off-white powder
Complexity
573
Covalently-Bonded Unit Count
4
Exact Mass
682.302766
Heavy Atom Count
39
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Monoisotopic Mass
682.302766
Rotatable Bond Count
17
Topological Polar Surface Area
117 Ų
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