bis(acetyloxy)gadolinio acetate hydrate

• ChemBase ID: 149924
• Molecular Formular: C6H11GdO7
• Molecular Mass: 352.39734
• Monoisotopic Mass: 352.97458069
• SMILES: CC(=O)O[Gd](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Gd](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.Gd.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: GXCUBNRUECGTSC-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)gadolinio acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)gadolinio acetate hydrate
• Synonyms: Gadolinium(III) acetate hydrate; 醋酸钆(III) 水合物

Database IDs

• CAS Number: 100587-93-7
• EC Number: 240-204-9
• MDL Number: MFCD00150116
• PubChem SID: 162244086; 24859524
• PubChem CID: 71311437

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: 21.10025 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Gd(CH3CO2)3 · xH2O

DETAILS

Sigma Aldrich - 325678

Packaging
25, 100 g in glass bottle