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

• ChemBase ID: 112377
• Molecular Formular: C15H21NdO6
• Molecular Mass: 441.56364
• Monoisotopic Mass: 439.04153639
• SMILES: [Nd+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.[Nd+3]
• InChI: InChI=1S/3C5H8O2.Nd/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: BDEXOUZTFQVNOF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: neodymium(3+) ion tris(4-oxopent-2-en-2-olate); neodymium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: neodymium(3+) ion tris(4-oxopent-2-en-2-olate); neodymium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: NEODYMIUM ACETYL ACETONATE; Neodymium acetylacetonate; Neodymium(III) 2,4-pentanedionate; 乙酰丙酮钕(III)

Database IDs

• CAS Number: 14589-38-9
• EC Number: 238-631-0
• MDL Number: MFCD00013498
• PubChem SID: 162097320
• PubChem CID: 13122483

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: 150-152°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.9% (REO)

DETAILS

MP Biomedicals - 05223653

MP Biomedicals Rare Chemical collection