1,2,4-Trimethylbenzene
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CAS Number 95-63-6
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Catalog Number io-3166
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Classification Hydrocarbons
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Molecular Weight 120.1900
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SMILES CC1=CC(=C(C=C1)C)C
| Size | QTY | Notes | |
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1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4. It has a role as a neurotoxin.
| 1 | 1,2,4-TRIMETHYLBENZENE |
| 2 | Pseudocumene |
| 3 | Pseudocumol |
| 4 | Psi-cumene |
| 5 | as-Trimethylbenzene |
| Molecular Formula | C9H12 |
|---|---|
| Canonical SMILES | CC1=CC(=C(C=C1)C)C |
| Isomeric SMILES | CC1=CC(=C(C=C1)C)C |
| Molecular Weight | 120.1900 |
| InChIKey | GWHJZXXIDMPWGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 |
| XLogP | 3.0000 |
| ExactMass | 120.0939 |
| MonoisotopicMass | 120.0939 |
| TPSA | 0.0000 |
| Complexity | 86.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 24514 |
| PatentFamilyCount | 11298 |
| LiteratureCount | 1662 |
