Barium 2,2-dimethyloctanoate

Catalog Number	ACM68698602-1
CAS	68698-60-2
Structure
Synonyms	Barium bis(2,2-dimethyloctanoate)
Molecular Weight	479.8
Molecular Formula	C20H38BaO4
Canonical SMILES	CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Ba+2]
InChI	InChI=1S/2C10H20O2.Ba/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;+2/p-2
InChI Key	CJLKLWVNWFVXOI-UHFFFAOYSA-L
Exact Mass	480.182257
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	480.182257
Rotatable Bond Count	10
Topological Polar Surface Area	80.3 Ų