Methoxone sodium salt
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CAS Number 3653-48-3
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Catalog Number io-2639
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Classification Ethers
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Molecular Weight 222.6000
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SMILES CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | MCPA-sodium |
| 2 | MCPA sodium salt |
| 3 | MCPA sodium |
| 4 | Methoxone sodium salt |
| 5 | Sodium MCPA |
| Molecular Formula | C9H8ClNaO3 |
|---|---|
| Canonical SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+] |
| Isomeric SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+] |
| Molecular Weight | 222.6000 |
| InChIKey | STAPBGVGYWCRTF-UHFFFAOYSA-M |
| InChI | InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1 |
| XLogP | 0.0000 |
| ExactMass | 222.0060 |
| MonoisotopicMass | 222.0060 |
| TPSA | 49.4000 |
| Complexity | 189.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 5618 |
| PatentFamilyCount | 2667 |
| LiteratureCount | 11 |
