5,5'-(4'-Formyl-[1,1'-biphenyl]-3,5-diyl)dipicolinaldehyde
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CAS Number 3029270-00-3
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Catalog Number io-406907
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Molecular Weight 392.4000
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SMILES
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| 1 | 5,5'-(4'-Formyl-[1,1'-biphenyl]-3,5-diyl)dipicolinaldehyde |
| 2 | G70696 |
| Molecular Formula | C25H16N2O3 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 392.4000 |
| InChIKey | RDICUCQVIUEUEK-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H16N2O3/c28-14-17-1-3-18(4-2-17)21-9-22(19-5-7-24(15-29)26-12-19)11-23(10-21)20-6-8-25(16-30)27-13-20/h1-16H |
| XLogP | 3.7000 |
| ExactMass | 392.1161 |
| MonoisotopicMass | 392.1161 |
| TPSA | 77.0000 |
| Complexity | 553.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 30 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
