Dibenzofuran
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CAS Number 132-64-9
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Catalog Number io-2123
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Classification Ethers
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Molecular Weight 168.1900
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SMILES C1=CC=C2C(=C1)C3=CC=CC=C3O2
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Dibenzofuran is a mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has a role as a xenobiotic. It is a member of dibenzofurans, a polycyclic heteroarene and a mancude organic heterotricyclic parent.
| 1 | dibenzofuran |
| 2 | Dibenzo[b,d]furan |
| 3 | diphenylene oxide |
| 4 | Dibenzofurans |
| 5 | 2,2'-Biphenylene oxide |
| Molecular Formula | C12H8O |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| Molecular Weight | 168.1900 |
| InChIKey | TXCDCPKCNAJMEE-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H |
| XLogP | 4.1000 |
| ExactMass | 168.0575 |
| MonoisotopicMass | 168.0575 |
| TPSA | 13.1000 |
| Complexity | 170.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 63407 |
| PatentFamilyCount | 23092 |
| LiteratureCount | 5913 |
