VXX
Summary
| Name: | METHYL VANILLATE |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 4-hydroxy-3-methoxybenzoate |
| OpenEye OEToolkits | 1.5.0 | methyl 4-hydroxy-3-methoxy-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)c1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1ccc(O)c(OC)c1 |
| SMILES | CACTVS | 3.341 | COC(=O)c1ccc(O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
| InChIKey | InChI | 1.03 | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
