A1IH7
Summary
| Name: | 2-[4-(hydroxymethyl)phenyl]ethanoic acid |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(hydroxymethyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12) |
| InChIKey | InChI | 1.06 | FWZBPBKAANKOJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(CC(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | OCc1ccc(CC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)CO |
