HHH
Summary
| Name: | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid |
| Formula: | C8 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 168.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-2-(4-hydroxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](C(O)=O)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.341 | O[CH](C(O)=O)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YHXHKYRQLYQUIH-ZETCQYMHSA-N |
