Safrole (also called Safrol, Shikimole) has the formula C10H10O2 and a molar mass of 162.18 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.
Explore in 3D Space-filling model PubChem
| IUPAC name | 5-prop-2-enyl-1,3-benzodioxole |
|---|---|
| SMILES | C=CCC1=CC2=C(C=C1)OCO2 |
| PubChem CID | 5144 |
| Other names | Safrol, Shikimole, Shikomol, 5-Allyl-1,3-benzodioxole, Safrole MF |
Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.
3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.