n-Hexane
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CAS Number 110-54-3
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Catalog Number io-2493
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Classification Hydrocarbons
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Molecular Weight 86.1800
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SMILES CCCCCC
| Size | QTY | Notes | |
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n-Hexane can cause male reproductive toxicity according to an independent committee of scientific and health experts.
| 1 | HEXANE |
| 2 | n-Hexane |
| 3 | Esani |
| 4 | Gettysolve-B |
| 5 | Skellysolve B |
| Molecular Formula | C6H14 |
|---|---|
| Canonical SMILES | CCCCCC |
| Isomeric SMILES | CCCCCC |
| Molecular Weight | 86.1800 |
| InChIKey | VLKZOEOYAKHREP-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| XLogP | 3.9000 |
| ExactMass | 86.1096 |
| MonoisotopicMass | 86.1096 |
| TPSA | 0.0000 |
| Complexity | 12.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 155855 |
| PatentFamilyCount | 87272 |
| LiteratureCount | 112650 |
