KT7
Summary
| Name: | 5-hydroxy-1H-isoindole-1,3(2H)-dione |
| Formula: | C8 H5 N O3 |
| Formal charge: | 0 |
| Formula weight: | 163.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxy-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 5-oxidanylisoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc2C(NC(c12)=O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12) |
| InChIKey | InChI | 1.03 | NHXFINXXELODNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2C(=O)NC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2C(=O)NC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)C(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)C(=O)NC2=O |
