scandium(3+) ion triacetate

• ChemBase ID: 295483
• Molecular Formular: C6H9O6Sc
• Molecular Mass: 222.08797
• Monoisotopic Mass: 221.99582491
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sc+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Sc+3]
• InChI: InChI=1S/3C2H4O2.Sc/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: DBTMQFKUVICLQN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: scandium(3+) ion triacetate
• IUPAC Traditional name: scandium(3+) ion triacetate
• Synonyms: Scandium(III) acetate hydrate; 水合乙酸钪(III)

Database IDs

• CAS Number: 304675-64-7
• MDL Number: MFCD00013043
• PubChem SID: 180681014
• PubChem CID: 160721

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 是

Product Information

• Purity: 99.9% (metals basis)