A29
Summary
| Name: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID |
| Formula: | C8 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 166.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-hydroxyphenyl)(oxo)acetic acid |
| OpenEye OEToolkits | 1.6.1 | 2-(3-hydroxyphenyl)-2-oxo-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1cc(O)ccc1)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)C(=O)c1cccc(O)c1 |
| SMILES | CACTVS | 3.352 | OC(=O)C(=O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)O)C(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,9H,(H,11,12) |
| InChIKey | InChI | 1.03 | NBDYDHVCTKPDRI-UHFFFAOYSA-N |
