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

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Catalog Number

ACM17594477

Product Name

Structure

CAS

17594-47-7

Category

Heterocyclic Organic Compound

IUPAC Name

barium(2+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate

Molecular Weight

503.9g/mol

Molecular Formula

C22H38BaO4

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

Exact Mass

504.182257g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

504.182257g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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