Butane
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CAS Number 106-97-8
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Catalog Number io-1862
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Classification Hydrocarbons
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Molecular Weight 58.1200
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SMILES CCCC
| Size | QTY | Notes | |
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Butane is a straight chain alkane composed of 4 carbon atoms. It has a role as a food propellant and a refrigerant. It is a gas molecular entity and an alkane.
| 1 | BUTANE |
| 2 | n-Butane |
| 3 | Diethyl |
| 4 | Methylethylmethane |
| 5 | butan |
| Molecular Formula | C4H10 |
|---|---|
| Canonical SMILES | CCCC |
| Isomeric SMILES | CCCC |
| Molecular Weight | 58.1200 |
| InChIKey | IJDNQMDRQITEOD-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 |
| XLogP | 2.9000 |
| ExactMass | 58.0783 |
| MonoisotopicMass | 58.0783 |
| TPSA | 0.0000 |
| Complexity | 2.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 112816 |
| PatentFamilyCount | 52130 |
| LiteratureCount | 16228 |
