sec-Butyl acetate
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CAS Number 105-46-4
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Catalog Number io-1876
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Classification Esters
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Molecular Weight 116.1600
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SMILES CCC(C)OC(=O)C
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | SEC-BUTYL ACETATE |
| 2 | dl-sec-Butyl acetate |
| 3 | 2-Butyl acetate |
| 4 | Acetic acid, 1-methylpropyl ester |
| 5 | butan-2-yl acetate |
| Molecular Formula | C6H12O2 |
|---|---|
| Canonical SMILES | CCC(C)OC(=O)C |
| Isomeric SMILES | CCC(C)OC(=O)C |
| Molecular Weight | 116.1600 |
| InChIKey | DCKVNWZUADLDEH-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3 |
| XLogP | 1.7000 |
| ExactMass | 116.0837 |
| MonoisotopicMass | 116.0837 |
| TPSA | 26.3000 |
| Complexity | 78.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 24626 |
| PatentFamilyCount | 11471 |
| LiteratureCount | 1209 |
