dipotassium (13C)carbonate

• ChemBase ID: 145655
• Molecular Formular: CK2O3
• Molecular Mass: 139.19815484
• Monoisotopic Mass: 138.91551206
• SMILES: [13C](=O)([O-])[O-].[K+].[K+]
• Canonical SMILES: [O-][13C](=O)[O-].[K+].[K+]
• InChI: InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2/i1+1
• InChIKey: BWHMMNNQKKPAPP-GOCMCNPZSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (^1^3C)carbonate
• IUPAC Traditional name: dipotassium (^1^3C)carbonate
• Synonyms: Potassium carbonate-13C; 碳酸钾-13C

Database IDs

• CAS Number: 122570-45-0
• MDL Number: MFCD00145145
• PubChem SID: 162239859; 24872817
• PubChem CID: 12598077

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 891 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/21/22
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312
• GHS Precautionary statements: P280

Product Information

• Isotopic Purity: 98 atom % 13C
• Mol. Weight: mol wt 139.18 by atom % calculation
• Linear Formula: K213CO3

DETAILS

Sigma Aldrich - 493287

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.