R8V
Summary
| Name: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one |
| Formula: | C9 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 163.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-2-methyl-3-oxidanyl-3~{H}-isoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc2c(cc1)C(N(C)C2O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | UCEXMNLISKKYAE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H](O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | CN1[CH](O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1[C@H](c2ccccc2C1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C(c2ccccc2C1=O)O |
