QKU
Summary
| Name: | 3-[3-(hydroxymethyl)phenyl]benzoic acid |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(hydroxymethyl)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-8,15H,9H2,(H,16,17) |
| InChIKey | InChI | 1.03 | SWVDMIKPVOEKNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2cccc(c2)C(=O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2cccc(c2)C(=O)O)CO |
