Benzene a
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CAS Number 71-43-2
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Catalog Number io-1788
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Classification Hydrocarbons
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Molecular Weight 78.1100
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SMILES C1=CC=CC=C1
| Size | QTY | Notes | |
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Benzene can cause cancer according to California Labor Code. It can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts.
| 1 | benzene |
| 2 | benzol |
| 3 | Cyclohexatriene |
| 4 | benzole |
| 5 | Pyrobenzole |
| Molecular Formula | C6H6 |
|---|---|
| Canonical SMILES | C1=CC=CC=C1 |
| Isomeric SMILES | C1=CC=CC=C1 |
| Molecular Weight | 78.1100 |
| InChIKey | UHOVQNZJYSORNB-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
| XLogP | 2.1000 |
| ExactMass | 78.0470 |
| MonoisotopicMass | 78.0470 |
| 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 | 242482 |
| PatentFamilyCount | 148223 |
| LiteratureCount | 156017 |
