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

• ChemBase ID: 303473
• Molecular Formular: C15H21O6Tb
• Molecular Mass: 456.24898
• Monoisotopic Mass: 456.05915939
• SMILES: C/C(=C/C(=O)C)/O[Tb](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Tb](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Tb/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: PJKGSRIANPFVEQ-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-4-{[bis({[(2Z)-4-oxopent-2-en-2-yl]oxy})terbio]oxy}pent-3-en-2-one
• IUPAC Traditional name: (3Z)-4-{[bis({[(2Z)-4-oxopent-2-en-2-yl]oxy})terbio]oxy}pent-3-en-2-one
• Synonyms: Terbium(III) acetylacetonate; Terbium(III) 2,4-pentanedionate; 乙酰丙酮铽(III)

Database IDs

• CAS Number: 14284-95-8
• EC Number: 238-195-1
• MDL Number: MFCD00013503

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: 36.39493 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.9% (REO)