3HB
Summary
| Name: | 3-HYDROXYBENZOIC ACID |
| Formula: | C7 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 138.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.7.2 | 3-oxidanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(O)ccc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) |
| InChIKey | InChI | 1.03 | IJFXRHURBJZNAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cccc(O)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)C(=O)O |
