(Acetylacetonato)(1,5-cyclooctadiene)rhodium(I)

Catalog Number	ACM12245395-2
CAS	12245-39-5
Structure
Description	Atomic number of base material: 45 Rhodium
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;(Z)-4-hydroxypent-3-en-2-one;rhodium
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene;(Z)-4-hydroxypent-3-en-2-one;rhodium;
Molecular Weight	311.2
Molecular Formula	C13H20O2Rh
Canonical SMILES	CC(=CC(=O)C)O.C1CC=CCCC=C1.[Rh]
InChI	InChI=1S/C8H12.C5H8O2.Rh/c1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;/h1-2,7-8H,3-6H2;3,6H,1-2H3;/b2-1-,8-7-;4-3-;
InChI Key	BUYVJWVYKPKZEX-DWVXZKBMSA-N
Melting Point	138-140 °C
Purity	97%
Appearance	Crystal
Application	Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis
Storage	below 5° C
Complexity	180
Covalently-Bonded Unit Count	3
Exact Mass	311.05182
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C(=C/C(=O)C)/O.C1/C=C\CC/C=C\C1.[Rh]
MDL Number	MFCD00075046
Monoisotopic Mass	311.05182
Rotatable Bond Count	1
Topological Polar Surface Area	37.3 Ų