W1D
Summary
| Name: | (4-acetylphenoxy)acetic acid |
| Formula: | C10 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 194.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-acetylphenoxy)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(4-ethanoylphenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1OCC(O)=O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | KMXZEXUYXUMHEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(OCC(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(OCC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(cc1)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(cc1)OCC(=O)O |
