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Molecule
Acetic Acid, 2-Amino-2-Oxo-, Sodium Salt (1:1)
CAS: 565-73-1 · C2H3NNaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 565-73-1
- Molecular Formula
- C2H3NNaO3
- Molecular Mass
- 112.04 g/mol
Identifiers
CAS Registry Number
565-73-1
SMILES
NC(=O)C(=O)O.[Na]
InChI Key
VDJDPRLPCNKVEA-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);
Names and Synonyms
- Acetic Acid, 2-Amino-2-Oxo-, Sodium Salt (1:1) Synonym
- Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) Synonym
- Oxamic acid, sodium salt Synonym
- Oxamic acid, monosodium salt Synonym
- Acetic acid, aminooxo-, monosodium salt Synonym
- Sodium oxamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.04 g/mol | CAS Common Chemistry |
| 112.03999999999998 g/mol | RDKit | |
| 113.048 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=VDJDPRLPCNKVEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acetic acid, 2-amino-2-oxo-, sodium 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 | 80.39 Ų | RDKit |
| LogP | -1.8245000000000005 | RDKit |
| -1.8245 | RDKit | |
| Molar Refractivity | 22.584200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 112.00106223600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 112.04 g/mol. Edit any field — others recompute live.
