(E)-(4-Methoxy-4-oxobut-2-en-1-yl)dimethylsulfonium bromide
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CAS Number 52919-94-5
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Catalog Number io-406978
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Molecular Weight 241.1500
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SMILES
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| 1 | (E)-(4-Methoxy-4-oxobut-2-en-1-yl)dimethylsulfonium bromide |
| Molecular Formula | C7H13BrO2S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 241.1500 |
| InChIKey | OTPHIEOKHHYSIG-FXRZFVDSSA-M |
| InChI | InChI=1S/C7H13O2S.BrH/c1-9-7(8)5-4-6-10(2)3;/h4-5H,6H2,1-3H3;1H/q+1;/p-1/b5-4+; |
| XLogP | 0.0000 |
| ExactMass | 239.9820 |
| MonoisotopicMass | 239.9820 |
| TPSA | 27.3000 |
| Complexity | 130.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |
