USJ
Summary
| Name: | (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{S})-2-methyl-1,3-dihydroisoindole-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc2c(cc1)C(N(C2O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8-9,11-12H,1H3/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | BYRKHPSEAHMOOE-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H](O)c2ccccc2[C@@H]1O |
| SMILES | CACTVS | 3.385 | CN1[CH](O)c2ccccc2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@H](c2ccccc2[C@@H]1O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(c2ccccc2C1O)O |
