1,4-Dioxane
-
CAS Number 123-91-1
-
Catalog Number io-2283
-
Classification Ethers
-
Molecular Weight 88.1100
-
SMILES C1COCCO1
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
1,4-Dioxane can cause cancer according to an independent committee of scientific and health experts.
| 1 | 1,4-DIOXANE |
| 2 | Dioxane |
| 3 | p-Dioxane |
| 4 | Diethylene ether |
| 5 | 1,4-Diethylene dioxide |
| Molecular Formula | C4H8O2 |
|---|---|
| Canonical SMILES | C1COCCO1 |
| Isomeric SMILES | C1COCCO1 |
| Molecular Weight | 88.1100 |
| InChIKey | RYHBNJHYFVUHQT-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
| XLogP | -0.3000 |
| ExactMass | 88.0524 |
| MonoisotopicMass | 88.0524 |
| TPSA | 18.5000 |
| Complexity | 26.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 98992 |
| PatentFamilyCount | 46349 |
| LiteratureCount | 34020 |
