basic_info |
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| Product_Name: | 1-(1,3-BENZODIOXOL-5-YL)-2-(4-PYRIDINYL)-ETHANONE |
| CAS: | 224040-84-0 |
| EnglishSynonyms: | 1-(1,3-BENZODIOXOL-5-YL)-2-(4-PYRIDINYL)-ETHANONE ; ETHANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(4-PYRIDINYL)- ; 1-(2H-1,3-BENZODIOXOL-5-YL)-2-(PYRIDIN-4-YL)ETHAN-1-ONE |
| pro_mdlNumber: | MFCD17171157 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | c1cc2c(cc1C(=O)Cc3ccncc3)OCO2 |
| InChi: | InChI=1S/C14H11NO3/c16-12(7-10-3-5-15-6-4-10)11-1-2-13-14(8-11)18-9-17-13/h1-6,8H,7,9H2 |
| InChiKey: | InChIKey=NRQJFVAIJJLDEE-UHFFFAOYSA-N |
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