tert-Amyl acetate
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CAS Number 625-16-1
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Catalog Number io-1733
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Classification Esters
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Molecular Weight 130.1800
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SMILES CCC(C)(C)OC(=O)C
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | tert-Amyl acetate |
| 2 | T-PENTYL ACETATE |
| 3 | 2-methylbutan-2-yl acetate |
| 4 | 2-Butanol, 2-methyl-, acetate |
| 5 | t-Pentylacetate |
| Molecular Formula | C7H14O2 |
|---|---|
| Canonical SMILES | CCC(C)(C)OC(=O)C |
| Isomeric SMILES | CCC(C)(C)OC(=O)C |
| Molecular Weight | 130.1800 |
| InChIKey | JCCIFDCPHCKATH-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3 |
| XLogP | 1.5000 |
| ExactMass | 130.0994 |
| MonoisotopicMass | 130.0994 |
| TPSA | 26.3000 |
| Complexity | 106.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2040 |
| PatentFamilyCount | 924 |
| LiteratureCount | 13 |
