A1BDV
Summary
| Name: | (2H-1,3-benzodioxol-5-yl)methanol |
| Synonyms: | piperonyl alcohol |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2H-1,3-benzodioxol-5-yl)methanol |
| OpenEye OEToolkits | 3.1.0.0 | 1,3-benzodioxol-5-ylmethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCc1ccc2OCOc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2 |
| InChIKey | InChI | 1.06 | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | OCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CO)OCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CO)OCO2 |
