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Glyoxal
CAS: 107-22-2 | C2H2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-22-2
Molecular Formula:
C2H2O2
Molecular Weight:
58.036 g/mol
Names and Synonyms:
Glyoxal
Ethanedial
Glyfix CS 50
Daicel GY 60
Glyoxazal
Glyoxazal GX
GX (aldehyde)
GX
Glyoxal T 40
Aurarez 136
Protorez BLF-C
Cartabond GHF
Cartabond GH
Glyoxal 40L
XH 536
Freechem 40DL
Earth Works Linkup Plus
Glyoxal
Biformal
1,2-Ethanedione
Oxal
Biformyl
Diformyl
Ethanedione
Glyoxylaldehyde
Oxalaldehyde
Glyoxal aldehyde
Permafresh 114
Gohsezal P
Identifiers:
SMILES:
O=CC=O
InChI:
InChI=1S/C2H2O2/c3-1-2-4/h1-2H
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 | 58.04 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glyoxal None | Legacy Database |
| cas-boiling-point | 51 °C @ Press: 776 Torr None | Legacy Database |
| cas-canonical-smile | O=CC=O None | Legacy Database |
| cas-density | 1.14 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O2/c3-1-2-4/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=LEQAOMBKQFMDFZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 15 °C None | Legacy Database |
| cas-name | Glyoxal None | Legacy Database |
| wikipedia-name | Glyoxal None | Legacy Database |
| LogP | -0.6158000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 58.036 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 58.005479304000005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 34.14 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.128 | RDKit |
