Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate
Catalog Number
ACM17594477-2
CAS
17594-47-7
IUPAC Name
Barium(2+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Synonyms
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)barium(II) hydrate
Molecular Weight
503.9
Molecular Formula
C22H38BaO4
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-].[Ba+2]
InChI
InChI=1S/2C11H20O2.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;+2/p-2/b2*8-7-;
InChI Key
NYBMVAOYALBBBH-ATMONBRVSA-L
Melting Point
175-180 °C
Purity
95%+
Appearance
White powder
Storage
Under inert gas (nitrogen or Argon) at 2-8 °C
Complexity
505
Covalently-Bonded Unit Count
3
Exact Mass
504.182257
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Monoisotopic Mass
504.182257
Rotatable Bond Count
8
Topological Polar Surface Area
80.3 Ų
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation