5VQ
Summary
| Name: | 2-Propen-1-ol |
| Synonyms: | allyl alcohol |
| Formula: | C3 H6 O |
| Formal charge: | 0 |
| Formula weight: | 58.079 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | prop-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 |
| InChIKey | InChI | 1.03 | XXROGKLTLUQVRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC=C |
| SMILES | CACTVS | 3.385 | OCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C=CCO |
| SMILES | OpenEye OEToolkits | 2.0.4 | C=CCO |
