Back to Search
Molecule
Ethyl Glyoxylate
CAS: 924-44-7 · C4H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 924-44-7
- Molecular Formula
- C4H6O3
- Molecular Mass
- 102.09 g/mol
Identifiers
CAS Registry Number
924-44-7
SMILES
CCOC(=O)C=O
InChI Key
DBPFRRFGLYGEJI-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
Names and Synonyms
- Ethyl Glyoxylate Synonym
- Acetic acid, 2-oxo-, ethyl ester Synonym
- Glyoxylic acid, ethyl ester Synonym
- Acetic acid, oxo-, ethyl ester Synonym
- Ethyl glyoxylate Synonym
- Ethyl oxoacetate Synonym
- Oxoacetic acid ethyl ester Synonym
- NSC 49206 Synonym
- Ethyl 2-oxoacetate Synonym
- Glyoxalic acid ethyl ester Synonym
- Formyl ethoxy ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.08899999999998 g/mol | RDKit | |
| 102.089 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.094 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=CC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DBPFRRFGLYGEJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl glyoxylate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | -0.25160000000000005 | RDKit |
| -0.2516 | RDKit | |
| Molar Refractivity | 22.69699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 102.031694052 g/mol | RDKit |
| Boiling Point | 140-143 °C @ 1.5 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 102.09 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O3.
