Furan
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CAS Number 110-00-9
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Catalog Number io-2428
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Classification Ethers
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Molecular Weight 68.0700
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SMILES C1=COC=C1
| Size | QTY | Notes | |
|---|---|---|---|
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Add |
Furan can cause cancer according to The National Toxicology Program.
| 1 | FURAN |
| 2 | Divinylene oxide |
| 3 | Furfuran |
| 4 | Tetrole |
| 5 | Oxacyclopentadiene |
| Molecular Formula | C4H4O |
|---|---|
| Canonical SMILES | C1=COC=C1 |
| Isomeric SMILES | C1=COC=C1 |
| Molecular Weight | 68.0700 |
| InChIKey | YLQBMQCUIZJEEH-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H |
| XLogP | 1.3000 |
| ExactMass | 68.0262 |
| MonoisotopicMass | 68.0262 |
| TPSA | 13.1000 |
| Complexity | 22.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 65498 |
| PatentFamilyCount | 26135 |
| LiteratureCount | 17731 |
