5XC
Summary
| Name: | 1,3-benzodioxole-5-carbaldehyde |
| Formula: | C8 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 150.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1,3-benzodioxole-5-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 |
| InChIKey | InChI | 1.03 | SATCULPHIDQDRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1C=O)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1C=O)OCO2 |
