Resmethrin
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CAS Number 10453-86-8
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Catalog Number io-2963
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Classification Esters
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Molecular Weight 338.4000
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SMILES CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
| Size | QTY | Notes | |
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Resmethrin can cause cancer and developmental toxicity according to The Environmental Protection Agency (EPA).
| 1 | resmethrin |
| 2 | Benzofuroline |
| 3 | Isathrine |
| 4 | Benzofuroline; Isathrine |
| 5 | Bioresmethrine |
| Molecular Formula | C22H26O3 |
|---|---|
| Canonical SMILES | CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C |
| Isomeric SMILES | CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C |
| Molecular Weight | 338.4000 |
| InChIKey | VEMKTZHHVJILDY-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3 |
| XLogP | 6.1000 |
| ExactMass | 338.1882 |
| MonoisotopicMass | 338.1882 |
| TPSA | 39.4000 |
| Complexity | 497.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 25 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 2 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14870 |
| PatentFamilyCount | 4720 |
| LiteratureCount | 509 |
