Tert-butyl 2-phenylmethoxyacetate
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CAS Number 119620-31-4
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Catalog Number io-406966
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Molecular Weight 222.2800
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SMILES O=C(OC(C)(C)C)COCC=1C=CC=CC1
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | SCHEMBL3110938 |
| 2 | SCHEMBL5727816 |
| 3 | AKOS018719037 |
| 4 | SCHEMBL3110938 |
| 5 | SCHEMBL5727816 |
| Molecular Formula | C13H18O3 |
|---|---|
| Canonical SMILES | O=C(OC(C)(C)C)COCC=1C=CC=CC1 |
| Isomeric SMILES | O=C(OC(C)(C)C)COCC=1C=CC=CC1 |
| Molecular Weight | 222.2800 |
| InChIKey | DZBMXMZSUTTXEF-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H18O3/c1-13(2,3)16-12(14)10-15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| XLogP | 2.5000 |
| ExactMass | 222.1300 |
| MonoisotopicMass | 222.1300 |
| TPSA | 35.5000 |
| Complexity | 212.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 34 |
| PatentFamilyCount | 13 |
| LiteratureCount | 1 |
