A1EG2
Summary
| Name: | 3-[2,3-bis(oxidanyl)phenyl]propanoic acid |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2,3-bis(oxidanyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12) |
| InChIKey | InChI | 1.06 | QZDSXQJWBGMRLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccc(O)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cccc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)CCC(=O)O |
