basic_info |
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| Product_Name: | 3-(4-OXO-CYCLOHEX-1-ENYL)-BENZONITRILE |
| CAS: | 540787-54-0 |
| EnglishSynonyms: | 3-(4-OXO-1-CYCLOHEXEN-1-YL)-BENZONITRILE ; BENZONITRILE, 3-(4-OXO-1-CYCLOHEXEN-1-YL)- ; 3-(4-OXOCYCLOHEX-1-EN-1-YL)BENZONITRILE ; 3-(4-OXO-CYCLOHEX-1-ENYL)-BENZONITRILE |
| pro_mdlNumber: | MFCD09030378 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | c1cc(cc(c1)C2=CCC(=O)CC2)C#N |
| InChi: | InChI=1S/C13H11NO/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-4,8H,5-7H2 |
| InChiKey: | InChIKey=FREHTPKNPMUSMK-UHFFFAOYSA-N |
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