Acetic acid;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium

Catalog Number	ACM116128291-1
CAS	116128-29-1
Structure
Synonyms	Ru(OAc)2[(R)-tolbinap]
Molecular Weight	899.9
Molecular Formula	C52H48O4P2Ru
Canonical SMILES	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.CC(=O)O.CC(=O)O.[Ru]
InChI	InChI=1S/C48H40P2.2C2H4O2.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;2*1-2(3)4;/h5-32H,1-4H3;2*1H3,(H,3,4);
InChI Key	OXESSJMVRGFBNX-UHFFFAOYSA-N
Melting Point	>100 °C
Appearance	Powder
Exact Mass	900.207124
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Monoisotopic Mass	900.207124
Rotatable Bond Count	7
Topological Polar Surface Area	74.6 Ų