Diphacinone
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CAS Number 82-66-6
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Catalog Number io-2285
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Classification Acids
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Molecular Weight 340.4000
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SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
| Size | QTY | Notes | |
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Diphenadione is a diarylmethane and a beta-triketone.
| 1 | Diphacinone |
| 2 | DIPHENADIONE |
| 3 | Diphenandione |
| 4 | Didandin |
| 5 | Diphenacin |
| Molecular Formula | C23H16O3 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| Isomeric SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| Molecular Weight | 340.4000 |
| InChIKey | JYGLAHSAISAEAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H |
| XLogP | 3.7000 |
| ExactMass | 340.1099 |
| MonoisotopicMass | 340.1099 |
| TPSA | 51.2000 |
| Complexity | 512.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 7699 |
| PatentFamilyCount | 2624 |
| LiteratureCount | 304 |
