V55
Summary
| Name: | 4-hydroxy-3-methoxybenzaldehyde |
| Synonyms: | p-vanillin |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-hydroxy-3-methoxybenzaldehyde |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxy-3-methoxy-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(C=O)ccc1O |
| SMILES | CACTVS | 3.341 | COc1cc(C=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey | InChI | 1.03 | MWOOGOJBHIARFG-UHFFFAOYSA-N |
