N36
Summary
| Name: | 3-ethoxy-4-hydroxybenzaldehyde |
| Synonyms: | Ethyl vanillin |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-ethoxy-4-hydroxybenzaldehyde |
| OpenEye OEToolkits | 2.0.7 | 3-ethoxy-4-oxidanyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCOc1cc(ccc1O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 |
| InChIKey | InChI | 1.03 | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(C=O)ccc1O |
| SMILES | CACTVS | 3.385 | CCOc1cc(C=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1O)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1O)C=O |
