Anethole
CAS: 4180-23-8
| 1 | ANETHOLE |
| 2 | trans-Anethole |
| 3 | 104-46-1 |
| 4 | (E)-Anethole |
| 5 | p-Propenylanisole |
Anethole is a monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. It has a role as a plant metabolite.
| Molecular Formula | C10H12O |
|---|---|
| Canonical SMILES | CC=CC1=CC=C(C=C1)OC |
| Isomeric SMILES | C/C=C/C1=CC=C(C=C1)OC |
| Molecular Weight | 148.2000 |
| InChIKey | RUVINXPYWBROJD-ONEGZZNKSA-N |
| InChI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
| XLogP | 3.3000 |
| ExactMass | 148.0888 |
| MonoisotopicMass | 148.0888 |
| TPSA | 9.2000 |
| Complexity | 121.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 41043 |
| PatentFamilyCount | 13902 |
| LiteratureCount | 1522 |