MPB
Summary
| Name: | 4-HYDROXY-BENZOIC ACID METHYL ESTER |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 4-hydroxybenzoate |
| OpenEye OEToolkits | 1.5.0 | methyl 4-hydroxybenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.341 | COC(=O)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)c1ccc(cc1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)c1ccc(cc1)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| InChIKey | InChI | 1.03 | LXCFILQKKLGQFO-UHFFFAOYSA-N |
