basic_info |
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| Product_Name: | 2-(3-(1,3-BENZODIOXOL-5-YL)-1-OXOPROPYL)-5-PHENYL-1,3-CYCLOHEXANEDIONE |
| CAS: | 77053-97-5 |
| EnglishSynonyms: | 1,3-CYCLOHEXANEDIONE, 2-(3-(1,3-BENZODIOXOL-5-YL)-1-OXOPROPYL)-5-PHENY L- ; 2-(3-(1,3-BENZODIOXOL-5-YL)-1-OXOPROPYL)-5-PHENYL-1,3-CYCLOHEXANEDIONE |
| pro_mdlNumber: | MFCD01752191 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | c1ccc(cc1)C2CC(=O)C(C(=O)C2)C(=O)CCc3ccc4c(c3)OCO4 |
| InChi: | InChI=1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2 |
| InChiKey: | InChIKey=OLUMRJVVZCNCBF-UHFFFAOYSA-N |
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