Cumene
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CAS Number 98-82-8
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Catalog Number io-2045
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Classification Hydrocarbons
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Molecular Weight 120.1900
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SMILES CC(C)C1=CC=CC=C1
| Size | QTY | Notes | |
|---|---|---|---|
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Add |
Cumene can cause cancer according to The National Toxicology Program.
| 1 | CUMENE |
| 2 | Isopropylbenzene |
| 3 | 2-Phenylpropane |
| 4 | (1-Methylethyl)benzene |
| 5 | Cumol |
| Molecular Formula | C9H12 |
|---|---|
| Canonical SMILES | CC(C)C1=CC=CC=C1 |
| Isomeric SMILES | CC(C)C1=CC=CC=C1 |
| Molecular Weight | 120.1900 |
| InChIKey | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| XLogP | 3.7000 |
| ExactMass | 120.0939 |
| MonoisotopicMass | 120.0939 |
| TPSA | 0.0000 |
| Complexity | 68.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 150762 |
| PatentFamilyCount | 63558 |
| LiteratureCount | 6906 |
