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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 Mass:
74.04 g/mol
Names and Synonyms:
Glyoxylic Acid
Acetic acid, 2-oxo-
Glyoxylic acid
Acetic acid, oxo-
2-Oxoacetic acid
Formylformic acid
Glyoxalic acid
Oxalaldehydic acid
Oxoethanoic acid
Oxoacetic acid
α-Ketoacetic acid
NSC 27785
Formylcarboxylic acid
Glyoxo High Pure 50
Carboxyformaldehyde
Identifiers:
SMILES:
O=CC(=O)O
InChI:
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
Key Properties
Melting Point
98 °C
CAS Common Chemistry
Density
1.42 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.04 g/mol | CAS Common Chemistry |
| 74.035 g/mol | RDKit | |
| 74.00039392400001 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glyoxylic_acid | CAS Common Chemistry |
| Canonical SMILES | O=CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=HHLFWLYXYJOTON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98 °C | CAS Common Chemistry |
| Name | Glyoxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | -0.7301 | RDKit |
| Molar Refractivity | 13.6998 | RDKit |
