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Molecule
Sodium Oxalate
CAS: 62-76-0 · C2H2Na2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 62-76-0
- Molecular Formula
- C2H2Na2O4
- Molecular Mass
- 136.01 g/mol
Identifiers
CAS Registry Number
62-76-0
SMILES
O=C(O)C(=O)O.[Na].[Na]
InChI Key
GRZMEERIPCJGSO-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;
Names and Synonyms
- Sodium Oxalate Synonym
- Ethanedioic acid, sodium salt (1:2) Synonym
- Oxalic acid, disodium salt Synonym
- Ethanedioic acid, disodium salt Synonym
- Sodium oxalate Synonym
- Disodium oxalate Synonym
- CSN 1 Synonym
- Citroma Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.01 g/mol | CAS Common Chemistry |
| 136.01399999999998 g/mol | RDKit | |
| 136.014 g/mol | RDKit | |
| 138.03 g/mol | chempirical lib | |
| Density | 2.34 g/cm³ | CAS Common Chemistry |
| 2.340 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_oxalate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);; | CAS Common Chemistry |
| InChI Key | InChIKey=GRZMEERIPCJGSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Sodium oxalate | 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 | 74.6 Ų | RDKit |
| LogP | -1.6059999999999999 | RDKit |
| -1.606 | RDKit | |
| Molar Refractivity | 26.779599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 135.974847104 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 = 136.01 g/mol; density = 2.340 g/mL. Edit any field — others recompute live.
