Bis[2,4-pentanedionato] barium xhydrate

Catalog Number	ACM206752343
CAS	206752-34-3
Structure
Synonyms	Barium(2+);(Z)-4-oxopent-2-en-2-olate;hydrate
Molecular Weight	353.56
Molecular Formula	C10H16BaO5
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.[Ba+2]
InChI	InChI=1S/2C5H8O2.Ba.H2O/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;1H2/q;+2;/p-2/b2*4-3-;
InChI Key	HYRVTHFPMWHAEG-SUKNRPLKSA-L
Purity	98%+
Exact Mass	354.005021
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O.[Ba+2]
Monoisotopic Mass	354.005021
Rotatable Bond Count	4
Topological Polar Surface Area	81.3 Ų