chromium(3+) ion tris(2,4-dioxopentan-3-ide)

• ChemBase ID: 126569
• Molecular Formular: C15H21CrO6
• Molecular Mass: 349.31974
• Monoisotopic Mass: 349.07432089
• SMILES: [Cr+3].O=C([CH-]C(=O)C)C.O=C([CH-]C(=O)C)C.O=C([CH-]C(=O)C)C
• Canonical SMILES: CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Cr+3]
• InChI: InChI=1S/3C5H7O2.Cr/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: GMJCSPGGZSWVKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion tris(2,4-dioxopentan-3-ide)
• IUPAC Traditional name: chromium(3+) ion triacetylacetonate
• Synonyms: tris(2,4-pentanediono)chromium(III); Chromium(III) acetylacetonate

Database IDs

• CAS Number: 21679-31-2
• PubChem SID: 162220901
• PubChem CID: 24884255
• CHEBI ID: 33035
• Chemspider ID: 2006256
• Wikipedia Title: Chromium(III)_acetylacetonate

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 8.505447
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.32770538
• LogD (pH = 7.4): 0.295359
• Log P: 0.3281338
• Molar Refractivity: 24.8596 cm^3
• Polarizability: 9.984604 Å^3
• Polar Surface Area: 34.14 Å^2

PROPERTIES

Physical Property

• Solubility: soluble in non-polar organic solvents
• Apperance: deep maroon
• Melting Point: 210 °C
• Boiling Point: 340 °C (sublimes near 100 °C)
• Density: 1.34 g/cm^3