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

• ChemBase ID: 112384
• Molecular Formular: C15H21O6Sm
• Molecular Mass: 447.68364
• Monoisotopic Mass: 449.05354539
• SMILES: [Sm+3].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)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.[Sm+3]
• InChI: InChI=1S/3C5H8O2.Sm/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: YJWDTQDBHBJLOF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: samarium(3+) ion tris(4-oxopent-2-en-2-olate); samarium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: samarium(3+) ion tris(4-oxopent-2-en-2-olate); samarium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: SAMARIUM ACETYL ACETONATE; Samarium(III) acetylacetonate; Samarium(III) 2,4-pentanedionate hydrate; 乙酰丙酮钐(III)水合物

Database IDs

• CAS Number: 64438-53-5; 14589-42-5
• EC Number: 238-632-6
• MDL Number: MFCD00792904
• PubChem SID: 162097511
• PubChem CID: 5483708

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: 149°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.9% (REO)

DETAILS

MP Biomedicals - 05223695

MP Biomedicals Rare Chemical collection