Dapansutrile
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CAS Number 54863-37-5
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Catalog Number io-406992
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Molecular Weight 133.1700
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SMILES
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Dapansutrile |
| 2 | OLT1177 |
| 3 | OLT-1177 |
| 4 | 3-methylsulfonylpropanenitrile |
| 5 | Propanenitrile, 3-(methylsulfonyl)- |
| Molecular Formula | C4H7NO2S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 133.1700 |
| InChIKey | LQFRYKBDZNPJSW-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3 |
| XLogP | -0.7000 |
| ExactMass | 133.0197 |
| MonoisotopicMass | 133.0197 |
| TPSA | 66.3000 |
| Complexity | 190.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 588 |
| PatentFamilyCount | 181 |
| LiteratureCount | 123 |
