3,4-Dihydro-2H-pyran
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CAS Number 110-87-2
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Catalog Number io-40796
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Classification Ethers
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Molecular Weight 84.1200
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SMILES C1CC=COC1
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | 3,4-Dihydro-2H-pyran |
| 2 | DIHYDROPYRAN |
| 3 | 3,4-Dihydropyran |
| 4 | 2H-3,4-Dihydropyran |
| 5 | 2,3-Dihydro-4H-pyran |
| Molecular Formula | C5H8O |
|---|---|
| Canonical SMILES | C1CC=COC1 |
| Isomeric SMILES | C1CC=COC1 |
| Molecular Weight | 84.1200 |
| InChIKey | BUDQDWGNQVEFAC-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2 |
| XLogP | 0.7000 |
| ExactMass | 84.0575 |
| MonoisotopicMass | 84.0575 |
| TPSA | 9.2000 |
| Complexity | 57.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 61088 |
| PatentFamilyCount | 17978 |
| LiteratureCount | 1361 |
