Mapa
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CAS Number 16648-44-5
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Catalog Number io-406929
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Molecular Weight 192.2100
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SMILES
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | methyl 3-oxo-2-phenylbutanoate |
| 2 | MAPA |
| 3 | 2TG7ZF9DBT |
| 4 | DTXSID301345676 |
| 5 | RefChem:1088858 |
| Molecular Formula | C11H12O3 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 192.2100 |
| InChIKey | CYSACHQWYQYLIG-UHFFFAOYSA-N |
| InChI | InChI=1S/C11H12O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3 |
| XLogP | 1.7000 |
| ExactMass | 192.0786 |
| MonoisotopicMass | 192.0786 |
| TPSA | 43.4000 |
| Complexity | 217.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 36 |
| PatentFamilyCount | 14 |
| LiteratureCount | 1 |
