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| Duplicate ID | |
|---|---|
| CAS Number | 100020-95-9 |
| Molecule Name | Octahydro-4H-1,4-ethanoindene-4-carbonyl chloride |
| 1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI) | |
| Smiles | O=C(Cl)C12CCC3CCC1C3CCC2 |
| InchiKey | JFDNLCLFCJWMAD-UHFFFAOYSA-N |
| InChi | InChI=1S/C12H17ClO/c13-11(14)12-6-1-2-9-8(5-7-12)3-4-10(9)12/h8-10H,1-7H2 |
| Formula | C12H17ClO |
| Molecular weight | 212.716 |
| Rings | 3 |
| logP | 3.3583 |
| PSA | 17.07 |
| MR | 58.192 |