V33
Summary
| Name: | (3-methoxyphenyl)acetic acid |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-methoxyphenyl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(3-methoxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(CC(=O)O)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | LEGPZHPSIPPYIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(O)=O)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(CC(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CC(=O)O |
