Styrene
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CAS Number 100-42-5
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Catalog Number io-3027
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Classification Hydrocarbons
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Molecular Weight 104.1500
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SMILES C=CC1=CC=CC=C1
| Size | QTY | Notes | |
|---|---|---|---|
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Styrene can cause cancer according to The National Toxicology Program.
| 1 | STYRENE |
| 2 | Ethenylbenzene |
| 3 | Vinylbenzene |
| 4 | Phenylethylene |
| 5 | Styrol |
| Molecular Formula | C8H8 |
|---|---|
| Canonical SMILES | C=CC1=CC=CC=C1 |
| Isomeric SMILES | C=CC1=CC=CC=C1 |
| Molecular Weight | 104.1500 |
| InChIKey | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
| XLogP | 2.9000 |
| ExactMass | 104.0626 |
| MonoisotopicMass | 104.0626 |
| TPSA | 0.0000 |
| Complexity | 68.0000 |
| 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 | 309037 |
| PatentFamilyCount | 159651 |
| LiteratureCount | 38308 |
