272
Summary
| Name: | 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL |
| Formula: | C13 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 243.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.5.0 | 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2oc1cc(O)ccc1c2c3ccc(O)cc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(c(O)c1)c2noc3cc(O)ccc23 |
| SMILES | CACTVS | 3.341 | Oc1ccc(c(O)c1)c2noc3cc(O)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)onc2c3ccc(cc3O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)onc2c3ccc(cc3O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H |
| InChIKey | InChI | 1.03 | NBTXJDAHLMMIGY-UHFFFAOYSA-N |
