4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrakis(2-hydroxybenzaldehyde)
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CAS Number 3026126-56-4
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Catalog Number io-406948
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Molecular Weight 682.7000
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SMILES
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| 1 | 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrakis(2-hydroxybenzaldehyde) |
| 2 | H42359 |
| 3 | 1,3,6,8-tetrakis(4-formyl-3-hydroxylphenyl)pyrene |
| Molecular Formula | C44H26O8 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 682.7000 |
| InChIKey | PEJUKJJAFMMMTQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H26O8/c45-19-27-5-1-23(13-39(27)49)35-17-36(24-2-6-28(20-46)40(50)14-24)32-11-12-34-38(26-4-8-30(22-48)42(52)16-26)18-37(25-3-7-29(21-47)41(51)15-25)33-10-9-31(35)43(32)44(33)34/h1-22,49-52H |
| XLogP | 10.2000 |
| ExactMass | 682.1628 |
| MonoisotopicMass | 682.1628 |
| TPSA | 149.0000 |
| Complexity | 1100.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 52 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
