dineodymium(3+) ion tris(oxotitaniumbis(olate))

• ChemBase ID: 295448
• Molecular Formular: Nd2O9Ti3
• Molecular Mass: 576.0756
• Monoisotopic Mass: 571.61351648
• SMILES: [O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[Nd+3].[Nd+3]
• Canonical SMILES: [O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[Nd+3].[Nd+3]
• InChI: InChI=1S/2Nd.9O.3Ti/q2*+3;;;;6*-1
• InChIKey: POMWZRVYIDSEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dineodymium(3+) ion tris(oxotitaniumbis(olate))
• IUPAC Traditional name: dineodymium(3+) ion tris(oxotitaniumbis(olate))
• Synonyms: Neodymium titanium oxide; Neodymium(III) titanate; 钛酸钕(III)

Database IDs

• CAS Number: 12058-94-5
• MDL Number: MFCD00192342
• PubChem SID: 180680979
• PubChem CID: 23166264

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.578295
• LogD (pH = 7.4): -3.7371097
• Log P: -1.4238
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.2817564 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否