Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate)hydrate

• CAS: 17594-47-7
• Catalog Number: ACM17594477
• Category: Other Products
• Molecular Weight: 503.9g/mol
• Molecular Formula: C22H38BaO4
• IUPAC Name: barium(2+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• 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
• Complexity: 505
• Covalently-Bonded Unit Count: 3
• Exact Mass: 504.182257g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 504.182257g/mol
• Rotatable Bond Count: 8