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Glyoxylic Acid
CAS: 298-12-4 | C2H2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
298-12-4
Molecular Formula:
C2H2O3
Molecular Weight:
74.035 g/mol
Names and Synonyms:
Glyoxylic Acid
Synonym
Acetic acid, 2-oxo-
Synonym
Glyoxylic acid
Synonym
Acetic acid, oxo-
Synonym
2-Oxoacetic acid
Synonym
Formylformic acid
Synonym
Glyoxalic acid
Synonym
Oxalaldehydic acid
Synonym
Oxoethanoic acid
Synonym
Oxoacetic acid
Synonym
α-Ketoacetic acid
Synonym
NSC 27785
Synonym
Formylcarboxylic acid
Synonym
Glyoxo High Pure 50
Synonym
Carboxyformaldehyde
Synonym
Identifiers:
SMILES:
O=CC(=O)O
InChI:
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 74.04 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glyoxylic_acid None | Legacy Database |
| cas-canonical-smile | O=CC(=O)O None | Legacy Database |
| cas-density | 1.42 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=HHLFWLYXYJOTON-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 98 °C None | Legacy Database |
| cas-name | Glyoxylic acid None | Legacy Database |
| wikipedia-name | Glyoxylic acid None | Legacy Database |
| LogP | -0.7301 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.035 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 74.00039392400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.6998 | RDKit |