VJJ
Summary
| Name: | 3-phenoxybenzoic acid |
| Formula: | C13 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-phenoxybenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-phenoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc(Oc1ccccc1)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15) |
| InChIKey | InChI | 1.03 | NXTDJHZGHOFSQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cccc(Oc2ccccc2)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cccc(Oc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2cccc(c2)C(=O)O |
