pentaaluminium(3+) ion triyttrium(3+) ion dodecaoxidandiide

• ChemBase ID: 303207
• Molecular Formular: Al5O12Y3
• Molecular Mass: 593.61804
• Monoisotopic Mass: 593.56421259
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[Y+3].[Y+3].[Y+3]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[Y+3].[Y+3].[Y+3]
• InChI: InChI=1S/5Al.12O.3Y/q5*+3;12*-2;3*+3
• InChIKey: XHRGRAGLMZXFTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentaaluminium(3+) ion triyttrium(3+) ion dodecaoxidandiide
• IUPAC Traditional name: pentaaluminium(3+) ion triyttrium(3+) ion dodecaoxidandiide
• Synonyms: Yttrium aluminum garnet; YAG; Yttrium aluminum oxide; 铝酸钇

Database IDs

• CAS Number: 12005-21-9
• EC Number: 234-465-8
• MDL Number: MFCD00213958

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: 3-12mm Fused Lump
• Melting Point: 1760°C
• Density: 4.65
• Refractive Index: 1.833

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99.99% (metals basis)