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Potassium Hydrogenoxalate
CAS: 127-95-7 | C2H2KO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-95-7
Molecular Formula:
C2H2KO4
Molecular Mass:
129.13 g/mol
Names and Synonyms:
Potassium Hydrogenoxalate
Ethanedioic acid, potassium salt (1:1)
Oxalic acid, monopotassium salt
Ethanedioic acid, monopotassium salt
Potassium oxalate (KHC2O4)
Potassium acid oxalate
Potassium binoxalate
Salt of sorrel
Potassium hydrogen oxalate
Monopotassium oxalate
Identifiers:
SMILES:
O=C(O)C(=O)O.[K]
InChI:
InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);
Key Properties
Density
2.00 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.13 g/mol | CAS Common Chemistry |
| 129.132 g/mol | RDKit | |
| 128.959015224 g/mol | RDKit | |
| Density | 2.00 g/cm³ | CAS Common Chemistry |
| 2.0 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_hydrogenoxalate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=ABEWDFYANWOMJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium hydrogen oxalate | CAS Common Chemistry |
| Potassium hydrogenoxalate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -1.2251999999999998 | RDKit |
| Molar Refractivity | 21.025599999999997 | RDKit |
