caesium(1+) ion formate hydrate

• ChemBase ID: 302924
• Molecular Formular: CH3CsO3
• Molecular Mass: 195.93817
• Monoisotopic Mass: 195.91366996
• SMILES: C(=O)[O-].O.[Cs+]
• Canonical SMILES: [O-]C=O.O.[Cs+]
• InChI: InChI=1S/CH2O2.Cs.H2O/c2-1-3;;/h1H,(H,2,3);;1H2/q;+1;/p-1
• InChIKey: LXIFZSGIDXLPLA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion formate hydrate
• IUPAC Traditional name: caesium(1+) ion formate hydrate
• Synonyms: Cesium formate hydrate; 水合甲酸铯

Database IDs

• EC Number: 222-492-8
• MDL Number: MFCD00039103

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Chunks/Powder

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 99.9% (metals basis)