Copper, bis[3-(acetyl-κO)-5-(1-methylpropyl)-2,4-pyrrolidinedionato-κO4]-, monohydrate

Catalog Number	ACM12427406
CAS	12427-40-6
Synonyms	Copper;4-acetyl-2-butan-2-yl-3-oxo-1,2-dihydropyrrol-5-olate;hydrate
Molecular Weight	474
Molecular Formula	C20H30CuN2O7
Canonical SMILES	CCC(C)C1C(=O)C(=C(N1)[O-])C(=O)C.CCC(C)C1C(=O)C(=C(N1)[O-])C(=O)C.O.[Cu+2]
InChI	InChI=1S/2C10H15NO3.Cu.H2O/c2*1-4-5(2)8-9(13)7(6(3)12)10(14)11-8;/h2*5,8,11,14H,4H2,1-3H3;1H2/q;+2;/p-2
InChI Key	UKCXHNOAPRXHJG-UHFFFAOYSA-L
Purity	98%
Complexity	681
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	473.134898
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Monoisotopic Mass	473.134898
Rotatable Bond Count	4
Topological Polar Surface Area	140 Ų