cobalt(3+) ion tris(4-oxopent-2-en-2-olate)

• ChemBase ID: 109564
• Molecular Formular: C15H21CoO6
• Molecular Mass: 356.25684
• Monoisotopic Mass: 356.06700839
• SMILES: [Co+3].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Co+3]
• InChI: InChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: RHCQEPWEBDOALW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion tris(4-oxopent-2-en-2-olate); cobalt(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: cobalt(3+) tris(4-oxopent-2-en-2-olate); cobalt(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: COBALTIC ACETYLACETONATE; Cobalt(III) acetylacetonate; Cobalt(III) 2,4-pentanedionate; 乙酰丙酮钴(III)

Database IDs

• CAS Number: 21679-46-9
• EC Number: 244-527-6
• MDL Number: MFCD00013488
• PubChem SID: 162095542
• PubChem CID: 5486787

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 211°C dec.

Safety Information

• Storage Warning: Moisture Sensitive & Hygroscopic
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• Risk Statements: 43; R:40-42/43-68
• Safety Statements: 24-37; S:22-29-36/37/39-46-53
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A

DETAILS

MP Biomedicals - 05211613

MP Biomedicals Rare Chemical collection