Diethyl (phenylacetyl)propanedioate
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CAS Number 20320-59-6
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Catalog Number io-406932
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Molecular Weight 278.3000
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SMILES
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| 1 | Diethyl (phenylacetyl)propanedioate |
| 2 | DTXSID30447383 |
| 3 | RefChem:1083470 |
| 4 | DTXCID70398204 |
| 5 | Diethyl 2-(2-phenylacetyl)propanedioate |
| Molecular Formula | C15H18O5 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 278.3000 |
| InChIKey | ZASPDQDIPTZTQQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H18O5/c1-3-19-14(17)13(15(18)20-4-2)12(16)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| XLogP | 2.4000 |
| ExactMass | 278.1154 |
| MonoisotopicMass | 278.1154 |
| TPSA | 69.7000 |
| Complexity | 326.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 5 |
| PatentFamilyCount | 4 |
| LiteratureCount | 0 |
