Methacrolein diacetate
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CAS Number 10476-95-6
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Catalog Number io-2609
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Classification Esters
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Molecular Weight 172.1800
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SMILES CC(=C)C(OC(=O)C)OC(=O)C
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | METHACROLEIN DIACETATE |
| 2 | 2-Methyl-2-propene-1,1-diol diacetate |
| 3 | Methacrolein diacetyl acetal |
| 4 | 2-Methylallylidene diacetate |
| 5 | Methyl allylidene diacetate |
| Molecular Formula | C8H12O4 |
|---|---|
| Canonical SMILES | CC(=C)C(OC(=O)C)OC(=O)C |
| Isomeric SMILES | CC(=C)C(OC(=O)C)OC(=O)C |
| Molecular Weight | 172.1800 |
| InChIKey | QFXJBPCTHSTOPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H12O4/c1-5(2)8(11-6(3)9)12-7(4)10/h8H,1H2,2-4H3 |
| XLogP | 1.4000 |
| ExactMass | 172.0736 |
| MonoisotopicMass | 172.0736 |
| TPSA | 52.6000 |
| Complexity | 191.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 176 |
| PatentFamilyCount | 87 |
| LiteratureCount | 7 |
