Mequinol
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CAS Number 150-76-5
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Catalog Number io-21743
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Classification Ethers
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Molecular Weight 124.1400
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SMILES COC1=CC=C(C=C1)O
| Size | QTY | Notes | |
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P-methoxyphenol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite.
| 1 | 4-Methoxyphenol |
| 2 | Mequinol |
| 3 | 4-Hydroxyanisole |
| 4 | p-Hydroxyanisole |
| 5 | p-Methoxyphenol |
| Molecular Formula | C7H8O2 |
|---|---|
| Canonical SMILES | COC1=CC=C(C=C1)O |
| Isomeric SMILES | COC1=CC=C(C=C1)O |
| Molecular Weight | 124.1400 |
| InChIKey | NWVVVBRKAWDGAB-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
| XLogP | 1.3000 |
| ExactMass | 124.0524 |
| MonoisotopicMass | 124.0524 |
| TPSA | 29.5000 |
| Complexity | 75.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 119566 |
| PatentFamilyCount | 44947 |
| LiteratureCount | 1680 |
