basic_info |
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| Product_Name: | BENZONITRILE, 4-[(3AR,6AR)-HEXAHYDROPYRROLO[3,4-B]PYRROL-1(2H)-YL]-, REL- |
| CAS: | 1218297-70-1 |
| EnglishSynonyms: | BENZONITRILE, 4-[(3AR,6AR)-HEXAHYDROPYRROLO[3,4-B]PYRROL-1(2H)-YL]-, REL- |
| pro_mdlNumber: | MFCD16294644 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | c1cc(ccc1C#N)N2CC[C@H]3[C@@H]2CNC3 |
| InChi: | InChI=1S/C13H15N3/c14-7-10-1-3-12(4-2-10)16-6-5-11-8-15-9-13(11)16/h1-4,11,13,15H,5-6,8-9H2/t11-,13+/m1/s1 |
| InChiKey: | InChIKey=DLZLUJOMHPANQW-YPMHNXCESA-N |
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