V6S
Summary
| Name: | 4-(3-hydroxyphenoxy)benzoic acid |
| Formula: | C13 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 230.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-hydroxyphenoxy)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(3-oxidanylphenoxy)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(cc1)Oc2ccc(cc2)C(O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16) |
| InChIKey | InChI | 1.03 | DEDKCEDXZJIDKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Oc2cccc(O)c2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Oc2cccc(O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O |
