FQ6
Summary
| Name: | 4H-1,3-benzodioxine-6-carbaldehyde |
| Synonyms: | 4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4~{H}-1,3-benzodioxine-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2 |
| InChIKey | InChI | 1.03 | GNQQVGXSVAZLGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc2OCOCc2c1 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc2OCOCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C=O)COCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C=O)COCO2 |
