5'-(4-Formyl-3-hydroxyphenyl)-3,3''-dihydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde
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CAS Number 2244985-34-8
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Catalog Number io-406912
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Molecular Weight 438.4000
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SMILES
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| 1 | 5'-(4-Formyl-3-hydroxyphenyl)-3,3''-dihydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde |
| 2 | 1,3,5-Tris(4-formyl-3-hydroxyphenyl)benzene |
| 3 | YSCH0190 |
| 4 | SCHEMBL30008990 |
| 5 | MFCD34705444 |
| Molecular Formula | C27H18O6 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 438.4000 |
| InChIKey | RMKVMLNVWUSOSN-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H18O6/c28-13-19-4-1-16(10-25(19)31)22-7-23(17-2-5-20(14-29)26(32)11-17)9-24(8-22)18-3-6-21(15-30)27(33)12-18/h1-15,31-33H |
| XLogP | 5.8000 |
| ExactMass | 438.1103 |
| MonoisotopicMass | 438.1103 |
| TPSA | 112.0000 |
| Complexity | 579.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 33 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 5 |
| PatentFamilyCount | 5 |
| LiteratureCount | 1 |
