(3Z)-4-{[bis({[(2Z)-4-oxopent-2-en-2-yl]oxy})europio]oxy}pent-3-en-2-one

• ChemBase ID: 302963
• Molecular Formular: C15H21EuO6
• Molecular Mass: 449.28764
• Monoisotopic Mass: 450.05504339
• SMILES: C/C(=C/C(=O)C)/O[Eu](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Eu](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Eu/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: AKYVEELUVDHHLT-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-4-{[bis({[(2Z)-4-oxopent-2-en-2-yl]oxy})europio]oxy}pent-3-en-2-one
• IUPAC Traditional name: (3Z)-4-{[bis({[(2Z)-4-oxopent-2-en-2-yl]oxy})europio]oxy}pent-3-en-2-one
• Synonyms: Europium acetylacetonate; Europium(III) 2,4-pentanedionate hydrate; 乙酰丙酮铕(III)水合物

Database IDs

• CAS Number: 181266-82-0
• EC Number: 238-185-7
• MDL Number: MFCD00192170

CALCULATED PROPERTIES

• Acid pKa: 18.943684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0569
• LogD (pH = 7.4): 1.0569
• Log P: 1.0569
• Molar Refractivity: 82.2747 cm^3
• Polarizability: 36.23864 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 140°C dec.

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 否

Product Information

• Purity: 99.9% (REO)