bis(acetyloxy)indiganyl acetate hydrate

• ChemBase ID: 150535
• Molecular Formular: C6H11InO7
• Molecular Mass: 309.96534
• Monoisotopic Mass: 309.95435569
• SMILES: CC(=O)O[In](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[In](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.In.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: SQICIVBFTIHIQQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)indiganyl acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)indiganyl acetate hydrate
• Synonyms: Indium(III) acetate hydrate; 醋酸铟 水合物

Database IDs

• CAS Number: 304671-64-5
• MDL Number: MFCD00150579
• PubChem SID: 162244696; 24861059
• PubChem CID: 16717617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1701
• LogD (pH = 7.4): -0.1701
• Log P: -0.1701
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 19.83951 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.99% trace metals basis
• Compostion: Degree of hydration, ≤5
• Linear Formula: (CH3CO2)3In · xH2O

DETAILS

Sigma Aldrich - 342378

Packaging
5, 25 g in poly bottle