p-Xylene
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CAS Number 106-42-3
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Catalog Number io-3205
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Classification Hydrocarbons
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Molecular Weight 106.1600
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SMILES CC1=CC=C(C=C1)C
| Size | QTY | Notes | |
|---|---|---|---|
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P-xylene is a xylene with methyl groups at positions 1 and 4.
| 1 | P-XYLENE |
| 2 | 1,4-Dimethylbenzene |
| 3 | Para-Xylene |
| 4 | 1,4-Xylene |
| 5 | p-Methyltoluene |
| Molecular Formula | C8H10 |
|---|---|
| Canonical SMILES | CC1=CC=C(C=C1)C |
| Isomeric SMILES | CC1=CC=C(C=C1)C |
| Molecular Weight | 106.1600 |
| InChIKey | URLKBWYHVLBVBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 |
| XLogP | 3.2000 |
| ExactMass | 106.0783 |
| MonoisotopicMass | 106.0783 |
| TPSA | 0.0000 |
| Complexity | 48.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 125916 |
| PatentFamilyCount | 55683 |
| LiteratureCount | 8887 |
