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

• ChemBase ID: 112813
• Molecular Formular: C15H21O6Pr
• Molecular Mass: 438.23129
• Monoisotopic Mass: 438.04146539
• SMILES: [Pr+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.[Pr+3]
• InChI: InChI=1S/3C5H8O2.Pr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: NOXQKISUYACYGB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: praseodymium(3+) ion tris(4-oxopent-2-en-2-olate)
• IUPAC Traditional name: praseodymium(3+) ion tris(4-oxopent-2-en-2-olate)
• Synonyms: PRASEODYMIUM ACETYL ACETONATE

Database IDs

• CAS Number: 14553-09-4
• PubChem SID: 162097877
• PubChem CID: 5483706

CALCULATED PROPERTIES

• Acid pKa: 8.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34432292
• LogD (pH = 7.4): 0.33067483
• 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

DETAILS

MP Biomedicals - 05225972

MP Biomedicals Rare Chemical collection