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Molecule
Potassium Oxalate Monohydrate
CAS: 6487-48-5 · C2H4K2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6487-48-5
- Molecular Formula
- C2H4K2O5
- Molecular Mass
- 186.25 g/mol
Identifiers
CAS Registry Number
6487-48-5
SMILES
O.O=C(O)C(=O)O.[K].[K]
InChI Key
KOEVASPLEDEDHG-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.2K.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;1H2
Names and Synonyms
- Potassium Oxalate Monohydrate Synonym
- Ethanedioic acid, potassium salt, hydrate (1:2:1) Synonym
- Oxalic acid, dipotassium salt, monohydrate Synonym
- Ethanedioic acid, dipotassium salt, monohydrate Synonym
- Potassium oxalate monohydrate Synonym
- Dipotassium oxalate monohydrate Synonym
- Potassium oxalate (K2(C2O4)) monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [K].O=C(O)C(=O)O.O | CAS Common Chemistry |
| Molecular Mass | 186.25 g/mol | CAS Common Chemistry |
| 186.245 g/mol | RDKit | |
| 188.261 g/mol | chempirical lib | |
| InChI | InChI=1S/C2H2O4.2K.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KOEVASPLEDEDHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium oxalate monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
| 106.1 Ų | RDKit | |
| LogP | -2.4307 | RDKit |
| Molar Refractivity | 30.3934 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 185.93328658800002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 186.25 g/mol. Edit any field — others recompute live.
