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Molecule
Potassium Hydrogenoxalate
CAS: 127-95-7 · C2H2KO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 127-95-7
- Molecular Formula
- C2H2KO4
- Molecular Mass
- 129.13 g/mol
Identifiers
CAS Registry Number
127-95-7
SMILES
O=C(O)C(=O)O.[K]
InChI Key
ABEWDFYANWOMJE-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);
Names and Synonyms
- Potassium Hydrogenoxalate Synonym
- Ethanedioic acid, potassium salt (1:1) Synonym
- Oxalic acid, monopotassium salt Synonym
- Ethanedioic acid, monopotassium salt Synonym
- Potassium oxalate (KHC2O4) Synonym
- Potassium acid oxalate Synonym
- Potassium binoxalate Synonym
- Salt of sorrel Synonym
- Potassium hydrogen oxalate Synonym
- Monopotassium oxalate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.0 g/cm3 | CAS Common Chemistry |
| 2.00 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 129.13 g/mol | CAS Common Chemistry |
| 129.132 g/mol | RDKit | |
| 130.14 g/mol | chempirical lib | |
| 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 |
| 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 |
| -1.2252 | RDKit | |
| Molar Refractivity | 21.025599999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 128.959015224 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 = 129.13 g/mol. Edit any field — others recompute live.
