1KA
Summary
| Name: | (2-hydroxyethoxy)acetaldehyde |
| Formula: | C4 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 104.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2-hydroxyethoxy)acetaldehyde |
| OpenEye OEToolkits | 1.7.6 | 2-(2-hydroxyethyloxy)ethanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCOCCO |
| InChI | InChI | 1.03 | InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2 |
| InChIKey | InChI | 1.03 | DSGGHBUAHUMMHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCCOCC=O |
| SMILES | CACTVS | 3.370 | OCCOCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(COCC=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(COCC=O)O |
