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Molecule
Potassium Citrate
CAS: 866-84-2 · C6H8K3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 866-84-2
- Molecular Formula
- C6H8K3O7
- Molecular Mass
- 309.42 g/mol
Identifiers
CAS Registry Number
866-84-2
SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K].[K]
InChI Key
GPSAAQWVJOVCBK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
Names and Synonyms
- Potassium Citrate Common Name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:3) Synonym
- Citric acid, tripotassium salt Synonym
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt Synonym
- Tripotassium citrate Synonym
- Potassium citrate Synonym
- Kajos Synonym
- Kaliksir Synonym
- Porekal Synonym
- Seltz-K Synonym
- Polycitra K Synonym
- Potassium tribasic citrate Synonym
- Urocit K Synonym
- Litocit Synonym
- 2-Hydroxy-1,2,3-propanetricarboxylic acid tripotassium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.42 g/mol | CAS Common Chemistry |
| 309.41700000000003 g/mol | RDKit | |
| 309.417 g/mol | RDKit | |
| 312.441 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_citrate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(O)CC(O)(C(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;; | CAS Common Chemistry |
| InChI Key | InChIKey=GPSAAQWVJOVCBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tripotassium citrate | CAS Common Chemistry |
| Potassium citrate | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.13 Ų | RDKit |
| LogP | -2.3908999999999985 | RDKit |
| -2.3909 | RDKit | |
| Molar Refractivity | 54.3532 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 308.918122636 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 309.42 g/mol. Edit any field — others recompute live.
