Acetatohydrotris(triphenylphosphine)ruthenium

Catalog Number	ACM55354875
CAS	55354-87-5
Synonyms	Acetic acid;ruthenium monohydride;triphenylphosphane
Molecular Weight	949
Molecular Formula	C56H50O2P3Ru
Canonical SMILES	CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[RuH]
InChI	InChI=1S/3C18H15P.C2H4O2.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h3*1-15H;1H3,(H,3,4);
InChI Key	VAHWKJDDGINXOI-UHFFFAOYSA-N
Purity	97%
Complexity	844
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	949.206707
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Monoisotopic Mass	949.206707
Rotatable Bond Count	9
Topological Polar Surface Area	37.3 Ų