AC1MINDF

bis(2-benzoylbenzoate);manganese(2+);bis(3-(1-methylpyrrolidin-2-yl)pyridine);trihydrate

Also Known As: Nicotine, compd. with manganese(II) o-benzoyl benzoate, trihydrate (2:1)|Manganese, bis(2-benzoylbenzoato)bis(3-(1-methyl-2-pyrrolidinyl)pyridine)-, trihydrate|Manganese(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3)|2-benzoylbenzoate; manganese(2+); 3-(1-methylpyrrolidin-2-yl)pyridine; trihydrate|Manganese, bis(2-benzoylbenzoato-O1)bis[3-(1-methyl-2-pyrrolidinyl)pyridine-N1]-, trihydrate

Molecular Formula	C48H52MnN4O9
Molecular Weight	883.31146 g/mol
LogP	3.7822
Topological Polar Surface Area	241.16 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	883.31146
Monoisotopic Mass	883.31146
Heavy Atoms	62
Complexity	2093.1365

Chemical Identifiers

CAS Number	64092-22-4
SMILES	CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)[O-].O.O.O.[Mn+2]