Methyleugenol
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CAS Number 93-15-2
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Catalog Number io-2665
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Classification Ethers
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Molecular Weight 178.2300
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SMILES COC1=C(C=C(C=C1)CC=C)OC
| Size | QTY | Notes | |
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Methyleugenol can cause cancer according to The National Toxicology Program.
| 1 | Methyl eugenol |
| 2 | METHYLEUGENOL |
| 3 | 4-Allyl-1,2-dimethoxybenzene |
| 4 | Eugenol methyl ether |
| 5 | 4-Allylveratrole |
| Molecular Formula | C11H14O2 |
|---|---|
| Canonical SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Isomeric SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Molecular Weight | 178.2300 |
| InChIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| InChI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| XLogP | 2.5000 |
| ExactMass | 178.0994 |
| MonoisotopicMass | 178.0994 |
| TPSA | 18.5000 |
| Complexity | 156.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14589 |
| PatentFamilyCount | 4994 |
| LiteratureCount | 1810 |
