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Oxamic Acid
CAS: 471-47-6 | C2H3NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
471-47-6
Molecular Formula:
C2H3NO3
Molecular Weight:
89.04999999999998 g/mol
Names and Synonyms:
Oxamic Acid
Synonym
Acetic acid, 2-amino-2-oxo-
Synonym
Oxamic acid
Synonym
Acetic acid, aminooxo-
Synonym
2-Amino-2-oxoacetic acid
Synonym
OA
Synonym
Oxalamic acid
Synonym
Oxamidic acid
Synonym
Formic acid, (aminocarbonyl)-
Synonym
Glycine, 2-oxo-
Synonym
Oxalic acid monoamide
Synonym
Aminooxoacetic acid
Synonym
NSC 47001
Synonym
NSC 49416
Synonym
NSC 53102
Synonym
Identifiers:
SMILES:
NC(=O)C(=O)O
InChI:
InChI=1S/C2H3NO3/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 | 89.04999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.011292956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | -1.4437000000000002 | RDKit |
| molecular_mass | 89.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Oxamic_acid None | Legacy Database |
| cas-canonical-smile | O=C(O)C(=O)N None | Legacy Database |
| cas-inchi | InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=SOWBFZRMHSNYGE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 210 °C (decomp) None | Legacy Database |
| cas-name | Oxamic acid None | Legacy Database |
| wikipedia-name | Oxamic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.8302 | RDKit |