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Molecule
Glyoxylic Acid
CAS: 298-12-4 · C2H2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 298-12-4
- Molecular Formula
- C2H2O3
- Molecular Mass
- 74.04 g/mol
Identifiers
CAS Registry Number
298-12-4
SMILES
O=CC(=O)O
InChI Key
HHLFWLYXYJOTON-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.04 g/mol | CAS Common Chemistry |
| 74.035 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 @ 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 |
| 54.37 Ų | RDKit | |
| LogP | -0.7301 | RDKit |
| Molar Refractivity | 13.6998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 74.00039392400001 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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Quick conversion
MW = 74.04 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
