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Diacetato 1,3-bis(diphenyl phosphino) propane palladium (II)

Catalog Number ACM149796598-1
CAS 149796-59-8
Structure Diacetato 1,3-bis(diphenyl phosphino) propane palladium (II)
Synonyms [Pd(1,3-bis(diphenylphosphino)propane)(OAc)2]
Molecular Weight 639
Molecular Formula C31H34O4P2Pd
Canonical SMILES CC(=O)O.CC(=O)O.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd]
InChI InChI=1S/C27H26P2.2C2H4O2.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*1-2(3)4;/h1-12,14-21H,13,22-23H2;2*1H3,(H,3,4);
InChI Key AXLVIMJWRWLVAX-UHFFFAOYSA-N
Purity 99%
Appearance Yellow powder
Complexity 428
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 638.09671
Heavy Atom Count 38
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
Monoisotopic Mass 638.09671
Rotatable Bond Count 8
Topological Polar Surface Area 74.6 Ų

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