basic_info |
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| Product_Name: | TRANS-2-(4-CYANOPHENYL)-5-ETHYL-1,3-DIOXANE |
| EnglishSynonyms: | TRANS-2-(4-CYANOPHENYL)-5-ETHYL-1,3-DIOXANE |
| pro_mdlNumber: | MFCD22417159 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | CC[C@@H]1CO[C@H](OC1)c2ccc(cc2)C#N |
| InChi: | InChI=1S/C13H15NO2/c1-2-10-8-15-13(16-9-10)12-5-3-11(7-14)4-6-12/h3-6,10,13H,2,8-9H2,1H3/t10-,13- |
| InChiKey: | InChIKey=YWSBRIQSYKROHJ-MJHDQNEOSA-N |
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