tert-Butyl acetate
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CAS Number 540-88-5
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Catalog Number io-1877
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Classification Esters
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Molecular Weight 116.1600
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SMILES CC(=O)OC(C)(C)C
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | TERT-BUTYL ACETATE |
| 2 | t-Butyl acetate |
| 3 | tert-Butyl ethanoate |
| 4 | Acetic Acid tert-Butyl Ester |
| 5 | Acetic acid, 1,1-dimethylethyl ester |
| Molecular Formula | C6H12O2 |
|---|---|
| Canonical SMILES | CC(=O)OC(C)(C)C |
| Isomeric SMILES | CC(=O)OC(C)(C)C |
| Molecular Weight | 116.1600 |
| InChIKey | WMOVHXAZOJBABW-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 |
| XLogP | 1.8000 |
| ExactMass | 116.0837 |
| MonoisotopicMass | 116.0837 |
| TPSA | 26.3000 |
| Complexity | 89.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 43851 |
| PatentFamilyCount | 15790 |
| LiteratureCount | 492 |
