Butyl acrylate
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CAS Number 141-32-2
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Catalog Number io-1878
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Classification Acrylates and Acrylic Acids
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Molecular Weight 128.1700
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SMILES CCCCOC(=O)C=C
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Butyl acrylate is an acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. It is functionally related to a butan-1-ol and an acrylic acid.
| 1 | BUTYL ACRYLATE |
| 2 | n-Butyl acrylate |
| 3 | butyl prop-2-enoate |
| 4 | 2-Propenoic acid, butyl ester |
| 5 | n-Butyl propenoate |
| Molecular Formula | C7H12O2 |
|---|---|
| Canonical SMILES | CCCCOC(=O)C=C |
| Isomeric SMILES | CCCCOC(=O)C=C |
| Molecular Weight | 128.1700 |
| InChIKey | CQEYYJKEWSMYFG-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 |
| XLogP | 2.4000 |
| ExactMass | 128.0837 |
| MonoisotopicMass | 128.0837 |
| TPSA | 26.3000 |
| Complexity | 97.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 161905 |
| PatentFamilyCount | 68033 |
| LiteratureCount | 3451 |
