bis(acetyloxy)neodymio acetate hydrate

• ChemBase ID: 148941
• Molecular Formular: C6H11NdO7
• Molecular Mass: 339.38734
• Monoisotopic Mass: 336.95820069
• SMILES: CC(=O)O[Nd](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Nd](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.Nd.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: GMQPBTKWMZBSCT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)neodymio acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)neodymio acetate hydrate
• Synonyms: Neodymium(III) acetate hydrate; 乙酸钕(III) 水合物

Database IDs

• CAS Number: 334869-71-5
• EC Number: 228-244-5
• MDL Number: MFCD00150120
• PubChem SID: 162243111; 24859538
• PubChem CID: 16212064

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: 20.762583 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

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%
• Linear Formula: (CH3CO2)3Nd · xH2O

DETAILS

Sigma Aldrich - 325805

Packaging
50 g in glass bottle