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Acetic Acid, 2-Amino-2-Oxo-, Sodium Salt (1:1)
CAS: 565-73-1 | C2H3NNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
565-73-1
Molecular Formula:
C2H3NNaO3
Molecular Weight:
112.03999999999998 g/mol
Names and Synonyms:
Acetic Acid, 2-Amino-2-Oxo-, Sodium Salt (1:1)
Acetic acid, 2-amino-2-oxo-, sodium salt (1:1)
Oxamic acid, sodium salt
Oxamic acid, monosodium salt
Acetic acid, aminooxo-, monosodium salt
Sodium oxamate
Identifiers:
SMILES:
NC(=O)C(=O)O.[Na]
InChI:
InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.03999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 112.00106223600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.39 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.8245000000000005 | RDKit |
| molecular_mass | 112.04 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C(=O)N None | Legacy Database |
| cas-inchi | InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6); None | Legacy Database |
| cas-inchi-key | InChIKey=VDJDPRLPCNKVEA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.584200000000003 | RDKit |
