Dihydrosafrole
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CAS Number 94-58-6
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Catalog Number io-2226
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Classification Ethers
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Molecular Weight 164.2000
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SMILES CCCC1=CC2=C(C=C1)OCO2
| Size | QTY | Notes | |
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Dihydrosafrole can cause cancer according to an independent committee of scientific and health experts.
| 1 | Dihydrosafrole |
| 2 | 5-Propyl-1,3-benzodioxole |
| 3 | 5-Propylbenzo[d][1,3]dioxole |
| 4 | Dihydrosafrol |
| 5 | Safrole, dihydro- |
| Molecular Formula | C10H12O2 |
|---|---|
| Canonical SMILES | CCCC1=CC2=C(C=C1)OCO2 |
| Isomeric SMILES | CCCC1=CC2=C(C=C1)OCO2 |
| Molecular Weight | 164.2000 |
| InChIKey | MYEIDJPOUKASEC-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3 |
| XLogP | 3.2000 |
| ExactMass | 164.0837 |
| MonoisotopicMass | 164.0837 |
| TPSA | 18.5000 |
| Complexity | 147.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 612 |
| PatentFamilyCount | 328 |
| LiteratureCount | 67 |
