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Molecule
Ethanedioic Acid, Potassium Salt, Hydrate (2:1:2)
CAS: 6100-20-5 · C2H4KO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6100-20-5
- Molecular Formula
- C2H4KO5
- Molecular Mass
- 147.15 g/mol
Identifiers
CAS Registry Number
6100-20-5
SMILES
O.O=C(O)C(=O)O.[K]
InChI Key
RKKPSAKHSRTUBZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.K.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2
Names and Synonyms
- Ethanedioic Acid, Potassium Salt, Hydrate (2:1:2) Systematic Name
- Ethanedioic acid, potassium salt, hydrate (2:1:2) Synonym
- Oxalic acid, potassium salt (2:1), dihydrate Synonym
- Ethanedioic acid, potassium salt (2:1), dihydrate Synonym
- Potassium oxalate, dihydrate Synonym
- Potassium tetroxalate dihydrate Synonym
- Potassium oxalate (KH3(C2O4)2) dihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.15 g/mol | CAS Common Chemistry |
| 147.147 g/mol | RDKit | |
| 148.155 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)C(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.K.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RKKPSAKHSRTUBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanedioic acid, potassium salt, hydrate (2:1:2) | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | -2.0499 | RDKit |
| Molar Refractivity | 24.6394 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 146.96957990800001 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 = 147.15 g/mol. Edit any field — others recompute live.
