Dibenzo-P-dioxin
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CAS Number 262-12-4
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Catalog Number io-34054
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Classification Ethers
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Molecular Weight 184.1900
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SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3O2
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Oxanthrene is a heteranthrene, a mancude organic heterotricyclic parent, a polycyclic heteroarene, an oxacycle and a dibenzodioxine.
| 1 | DIBENZO-P-DIOXIN |
| 2 | Oxanthrene |
| 3 | Dibenzo[b,e][1,4]dioxin |
| 4 | dibenzo[b,e][1,4]dioxine |
| 5 | Dibenzodioxin |
| Molecular Formula | C12H8O2 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3O2 |
| Isomeric SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3O2 |
| Molecular Weight | 184.1900 |
| InChIKey | NFBOHOGPQUYFRF-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H |
| XLogP | 4.4000 |
| ExactMass | 184.0524 |
| MonoisotopicMass | 184.0524 |
| TPSA | 18.5000 |
| Complexity | 163.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 5918 |
| PatentFamilyCount | 2383 |
| LiteratureCount | 4775 |
