A1I3E
Summary
| Name: | 3,4-dihydroisochromen-1-one |
| Formula: | C9 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 148.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,4-dihydroisochromen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2 |
| InChIKey | InChI | 1.06 | XVTAQSGZOGYIEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OCCc2ccccc12 |
| SMILES | CACTVS | 3.385 | O=C1OCCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCOC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCOC2=O |
