YTX
Summary
| Name: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | QRMZSPFSDQBLIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CC(O)=O)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CC(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)CC(=O)O |
