dipotassium carbonic acid trihydrate dipotassium hydride carbonate

• ChemBase ID: 302773
• Molecular Formular: C2H8K4O9
• Molecular Mass: 332.47272
• Monoisotopic Mass: 331.87165856
• SMILES: C(=O)(O)O.C(=O)([O-])[O-].O.O.O.[K].[K].[K+].[K+]
• Canonical SMILES: OC(=O)O.[O-]C(=O)[O-].O.O.O.[K].[K].[K+].[K+]
• InChI: InChI=1S/2CH2O3.4K.3H2O/c2*2-1(3)4;;;;;;;/h2*(H2,2,3,4);;;;;3*1H2/q;;;;2*+1;;;/p-2
• InChIKey: IKVXWCFHFBESNB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium carbonic acid trihydrate dipotassium hydride carbonate
• IUPAC Traditional name: dipotassium carbonic acid trihydrate dipotassium hydride carbonate
• Synonyms: Potassium carbonate sesquihydrate, ACS; 碳酸钾一点五水合物, ACS

Database IDs

• CAS Number: 6381-79-9
• EC Number: 209-529-3
• MDL Number: MFCD00149925
• Merck Index: 147670

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 9.4982 cm^3
• Polarizability: 3.880898 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water. Practically insoluble in alcohol
• Apperance: Crystalline

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98.5-101.0%