Bis(acetonitrile)palladium(II) p-toluenesulfonate

Catalog Number	ACM114757663-1
CAS	114757-66-3
Synonyms	Acetonitrile;4-methylbenzenesulfonate;palladium(2+)
Molecular Weight	530.91
Molecular Formula	C18H20N2O6S2Pd
Canonical SMILES	CC#N.CC#N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Pd+2]
InChI	InChI=1S/2C7H8O3S.2C2H3N.Pd/c2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-3;/h2*2-5H,1H3,(H,8,9,10);2*1H3;/q;+2/p-2
InChI Key	WNIFAQUPBJRCNL-UHFFFAOYSA-L
Purity	98%
Appearance	Yellow powder
Complexity	646
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	529.97976
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	529.97976
Rotatable Bond Count	4
Topological Polar Surface Area	179 Ų