Ethylbenzene
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CAS Number 100-41-4
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Catalog Number io-2353
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Classification Hydrocarbons
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Molecular Weight 106.1600
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SMILES CCC1=CC=CC=C1
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Ethylbenzene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
| 1 | ETHYLBENZENE |
| 2 | Phenylethane |
| 3 | Ethylbenzol |
| 4 | Benzene, ethyl- |
| 5 | Ethyl benzene |
| Molecular Formula | C8H10 |
|---|---|
| Canonical SMILES | CCC1=CC=CC=C1 |
| Isomeric SMILES | CCC1=CC=CC=C1 |
| Molecular Weight | 106.1600 |
| InChIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| XLogP | 3.1000 |
| ExactMass | 106.0783 |
| MonoisotopicMass | 106.0783 |
| TPSA | 0.0000 |
| Complexity | 51.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 71444 |
| PatentFamilyCount | 32170 |
| LiteratureCount | 13633 |
