Cyclohexane
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CAS Number 110-82-7
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Catalog Number io-2065
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Classification Hydrocarbons
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Molecular Weight 84.1600
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SMILES C1CCCCC1
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Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a cycloalkane and a volatile organic compound.
1 | CYCLOHEXANE |
2 | Hexamethylene |
3 | Hexahydrobenzene |
4 | Hexanaphthene |
5 | Cyclohexan |
Molecular Formula | C6H12 |
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Canonical SMILES | C1CCCCC1 |
Isomeric SMILES | C1CCCCC1 |
Molecular Weight | 84.1600 |
InChIKey | XDTMQSROBMDMFD-UHFFFAOYSA-N |
InChI | InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 |
XLogP | 3.4000 |
ExactMass | 84.0939 |
MonoisotopicMass | 84.0939 |
TPSA | 0.0000 |
Complexity | 15.0000 |
Charge | 0.0000 |
HBondDonorCount | 0 |
HBondAcceptorCount | 0 |
RotatableBondCount | 0 |
HeavyAtomCount | 6 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 79209 |
PatentFamilyCount | 41148 |
LiteratureCount | 35731 |