λ1-rhodium(1+) ion bis(ethene) (2Z)-4-oxopent-2-en-2-olate

• ChemBase ID: 303330
• Molecular Formular: C9H15O2Rh
• Molecular Mass: 258.1197
• Monoisotopic Mass: 258.01270872
• SMILES: C/C(=C/C(=O)C)/[O-].C=C.C=C.[Rh+]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.C=C.C=C.[Rh+]
• InChI: InChI=1S/C5H8O2.2C2H4.Rh/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;2*1-2H2;/q;;;+1/p-1/b4-3-
• InChIKey: FLRBEQQDEGBCJS-FGSKAQBVSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis(ethene) (2Z)-4-oxopent-2-en-2-olate
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(ethylene) (2Z)-4-oxopent-2-en-2-olate
• Synonyms: (Acetylacetonato)bis(ethylene)rhodium(I); Bis(ethylene)(2,4-pentanedionato)rhodium(I); 乙酰丙酮双(乙烯基)铑(I)

Database IDs

• CAS Number: 12082-47-2
• EC Number: 235-147-1
• MDL Number: MFCD00015354

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in dichloromethane, chloroform
• Apperance: Crystalline

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: Rh 39.9% min