HHT
Summary
| Name: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid |
| Formula: | C9 H9 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 245.07 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | RNRCAQYXOAHKGD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Br)ccc1CC(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(Br)ccc1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1CC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1CC(=O)O)Br |
