JO4
Summary
| Name: | 4-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 | 4-phenoxybenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-phenoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1Oc2ccc(C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15) |
| InChIKey | InChI | 1.03 | RYAQFHLUEMJOMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Oc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Oc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2)C(=O)O |
