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Carbonyltris(triphenylphosphine)rhodium(I) hydride

Catalog Number ACM17185294-3
CAS 17185-29-4
Structure Carbonyltris(triphenylphosphine)rhodium(I) hydride
Synonyms (Betab-5-23)-rhodiu
Molecular Weight 917.8
Molecular Formula C55H45OP3Rh
Canonical SMILES [C-]#[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.[Rh]
InChI InChI=1S/3C18H15P.CO.Rh/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;/h3*1-15H;
InChI Key IETKMTGYQIVLRF-UHFFFAOYSA-N
Melting Point 150 °C
Purity 99%
Appearance Light yellow powder
Complexity 212
Covalently-Bonded Unit Count 5
Defined Atom Stereocenter Count 0
Exact Mass 917.17382
Heavy Atom Count 60
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
Monoisotopic Mass 917.17382
Rotatable Bond Count 9
Topological Polar Surface Area 1 Ų

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