titanium(4+) ion diammonium trioxalate

• ChemBase ID: 112469
• Molecular Formular: C6H8N2O12Ti
• Molecular Mass: 348.00092
• Monoisotopic Mass: 347.95567001
• SMILES: [NH4+].[NH4+].[Ti+4].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[NH4+].[NH4+].[Ti+4]
• InChI: InChI=1S/3C2H2O4.2H3N.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);2*1H3;/q;;;;;+4/p-4
• InChIKey: DDDMZPWEAOSVIF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion diammonium trioxalate
• IUPAC Traditional name: titanium(4+) ion diammonium trioxalate ion
• Synonyms: TITANIUM AMMONIUM OXALATE

Database IDs

• CAS Number: 10580-03-7
• PubChem SID: 162098217
• PubChem CID: 25022221

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99.99%