2-Butenoic acid, 4-(diethoxyphosphinyl)-, methyl ester, (2E)-
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CAS Number 67629-62-3
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Catalog Number io-406889
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Molecular Weight 236.2000
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SMILES
| Size | QTY | Notes | |
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| 1 | Methyl (2E)-4-(diethoxyphosphinyl)-2-butenoate |
| 2 | 2-Butenoic acid, 4-(diethoxyphosphinyl)-, methyl ester, (2E)- |
| 3 | methyl 4-(diethyl phosphono)but-2-enoate |
| 4 | SCHEMBL4978281 |
| 5 | methyl 4-diethylphosphonocrotonate |
| Molecular Formula | C9H17O5P |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 236.2000 |
| InChIKey | ISLZPJMIALHMEC-VOTSOKGWSA-N |
| InChI | InChI=1S/C9H17O5P/c1-4-13-15(11,14-5-2)8-6-7-9(10)12-3/h6-7H,4-5,8H2,1-3H3/b7-6+ |
| XLogP | 0.4000 |
| ExactMass | 236.0814 |
| MonoisotopicMass | 236.0814 |
| TPSA | 61.8000 |
| Complexity | 251.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 41 |
| PatentFamilyCount | 11 |
| LiteratureCount | 6 |
