A1BYJ
Summary
| Name: | 1,3-dihydro-2H-isoindole-2-carbaldehyde |
| Synonyms: | isoindoline-2-carbonyl fluoride, reacted form |
| Formula: | C9 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 147.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1,3-dihydro-2H-isoindole-2-carbaldehyde |
| OpenEye OEToolkits | 3.1.0.0 | 1,3-dihydroisoindole-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=CN1Cc2ccccc2C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO/c11-7-10-5-8-3-1-2-4-9(8)6-10/h1-4,7H,5-6H2 |
| InChIKey | InChI | 1.06 | YGKOJGIYEHULCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CN1Cc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | O=CN1Cc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CN(C2)C=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CN(C2)C=O |
