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Ethanedioic Acid, Potassium Salt, Hydrate (2:1:2)
CAS: 6100-20-5 | C2H4KO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6100-20-5
Molecular Formula:
C2H4KO5
Molecular Weight:
147.147 g/mol
Names and Synonyms:
Ethanedioic Acid, Potassium Salt, Hydrate (2:1:2)
Potassium oxalate (KH3(C2O4)2) dihydrate
Potassium tetroxalate dihydrate
Potassium oxalate, dihydrate
Ethanedioic acid, potassium salt (2:1), dihydrate
Oxalic acid, potassium salt (2:1), dihydrate
Ethanedioic acid, potassium salt, hydrate (2:1:2)
Identifiers:
SMILES:
O.O=C(O)C(=O)O.[K]
InChI:
InChI=1S/C2H2O4.K.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 147.15 g/mol | Legacy Database |
| cas-canonical-smile | [K].O=C(O)C(=O)O.O None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O4.K.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=RKKPSAKHSRTUBZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethanedioic acid, potassium salt, hydrate (2:1:2) None | Legacy Database |
| LogP | -2.0499 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.147 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.96957990800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.6394 | RDKit |
