Methyl vinyl ketone
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CAS Number 78-94-4
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Catalog Number io-2686
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Classification Hydrocarbons
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Molecular Weight 70.0900
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SMILES CC(=O)C=C
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Buten-2-one is a methyl ketone that is butan-2-one with an unsaturation at position 3. It is a methyl ketone and an enone. It is functionally related to a butan-2-one and a but-1-ene.
| 1 | METHYL VINYL KETONE |
| 2 | 3-Buten-2-one |
| 3 | but-3-en-2-one |
| 4 | Butenone |
| 5 | Vinyl methyl ketone |
| Molecular Formula | C4H6O |
|---|---|
| Canonical SMILES | CC(=O)C=C |
| Isomeric SMILES | CC(=O)C=C |
| Molecular Weight | 70.0900 |
| InChIKey | FUSUHKVFWTUUBE-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3 |
| XLogP | 0.5000 |
| ExactMass | 70.0419 |
| MonoisotopicMass | 70.0419 |
| TPSA | 17.1000 |
| Complexity | 54.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 58319 |
| PatentFamilyCount | 26737 |
| LiteratureCount | 2283 |
