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Molecule
Oxamic Acid
CAS: 471-47-6 · C2H3NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 471-47-6
- Molecular Formula
- C2H3NO3
- Molecular Mass
- 89.05 g/mol
Identifiers
CAS Registry Number
471-47-6
SMILES
NC(=O)C(=O)O
InChI Key
SOWBFZRMHSNYGE-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.05 g/mol | CAS Common Chemistry |
| 89.04999999999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxamic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=SOWBFZRMHSNYGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C (decomp) | CAS Common Chemistry |
| Name | Oxamic acid | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -1.4437000000000002 | RDKit |
| -1.4437 | RDKit | |
| Molar Refractivity | 16.8302 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 89.011292956 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 = 89.05 g/mol. Edit any field — others recompute live.
