Maltol
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CAS Number 118-71-8
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Catalog Number io-43346
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Classification Ethers
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Molecular Weight 126.1100
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SMILES CC1=C(C(=O)C=CO1)O
| Size | QTY | Notes | |
|---|---|---|---|
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3-hydroxy-2-methyl-4-pyrone is a member of 4-pyranones. It has a role as a metabolite.
| 1 | MALTOL |
| 2 | 3-Hydroxy-2-methyl-4-pyrone |
| 3 | 3-Hydroxy-2-methyl-4H-pyran-4-one |
| 4 | Larixinic acid |
| 5 | Palatone |
| Molecular Formula | C6H6O3 |
|---|---|
| Canonical SMILES | CC1=C(C(=O)C=CO1)O |
| Isomeric SMILES | CC1=C(C(=O)C=CO1)O |
| Molecular Weight | 126.1100 |
| InChIKey | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| XLogP | 0.4000 |
| ExactMass | 126.0317 |
| MonoisotopicMass | 126.0317 |
| TPSA | 46.5000 |
| Complexity | 200.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25181 |
| PatentFamilyCount | 8544 |
| LiteratureCount | 1184 |
