(1S,5R)-6,8-dioxabicyclo(3.2.1)octan-4-one
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CAS Number 53716-82-8
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Catalog Number io-406861
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Molecular Weight 128.1300
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SMILES
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| 1 | (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| 2 | DTXSID30450332 |
| 3 | EC 807-130-4 |
| 4 | (1S,5R)-6,8-Dioxabicyclo(3.2.1)octan-4-one |
| 5 | RefChem:68445 |
| Molecular Formula | C6H8O3 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 128.1300 |
| InChIKey | WHIRALQRTSITMI-UJURSFKZSA-N |
| InChI | InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1 |
| XLogP | -0.2000 |
| ExactMass | 128.0473 |
| MonoisotopicMass | 128.0473 |
| TPSA | 35.5000 |
| Complexity | 143.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1371 |
| PatentFamilyCount | 586 |
| LiteratureCount | 5 |
