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Molecule
Cobalt(Ii) Oxalate
CAS: 814-89-1 · C2H2CoO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 814-89-1
- Molecular Formula
- C2H2CoO4
- Molecular Mass
- 148.97 g/mol
Identifiers
CAS Registry Number
814-89-1
SMILES
O=C(O)C(=O)O.[Co]
InChI Key
GHVNNFKGRJGVLD-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);
Names and Synonyms
- Cobalt(Ii) Oxalate Synonym
- Ethanedioic acid, cobalt(2+) salt (1:1) Synonym
- Oxalic acid, cobalt(2+) salt (1:1) Synonym
- Cobalt oxalate (CoC2O4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.97 g/mol | CAS Common Chemistry |
| 148.96699999999998 g/mol | RDKit | |
| 148.967 g/mol | RDKit | |
| 150.983 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cobalt(II)_oxalate | CAS Common Chemistry |
| Canonical SMILES | [Co].O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=GHVNNFKGRJGVLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanedioic acid, cobalt(2+) salt (1:1) | 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 | -0.8468999999999998 | RDKit |
| -0.8469 | RDKit | |
| Molar Refractivity | 15.2716 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.928503544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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 = 148.97 g/mol. Edit any field — others recompute live.
