VNL
Summary
| Name: | 4-HYDROXY-3-METHOXYBENZOATE |
| Synonyms: | vanillate |
| Formula: | C8 H7 O4 |
| Formal charge: | -1 |
| Formula weight: | 167.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-3-methoxybenzoate |
| OpenEye OEToolkits | 1.7.0 | 4-hydroxy-3-methoxy-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]C(=O)c1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1O)C([O-])=O |
| SMILES | CACTVS | 3.370 | COc1cc(ccc1O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 |
| InChIKey | InChI | 1.03 | WKOLLVMJNQIZCI-UHFFFAOYSA-M |
