71F
Summary
| Name: | 2-methoxybenzoic acid |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methoxybenzoic acid |
| OpenEye OEToolkits | 2.0.5 | 2-methoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(C(O)=O)cccc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | ILUJQPXNXACGAN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccccc1C(=O)O |
