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| Duplicate ID | |
|---|---|
| CAS Number | 1000342-20-0 |
| Molecule Name | 5-Cyanoisophthalaldehyde |
| Smiles | O=Cc1cc(C=O)cc(c1)C#N |
| InchiKey | ILAZMCGIHCEBEB-UHFFFAOYSA-N |
| InChi | InChI=1S/C9H5NO2/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,5-6H |
| Formula | C9H5NO2 |
| Molecular weight | 159.141 |
| Rings | 1 |
| logP | 1.18328 |
| PSA | 57.93 |
| MR | 41.932 |