basic_info |
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Product_Name: | 4-(3-METHYL-4-OXO-4H-1-BENZOPYRAN-2-YL)-BENZONITRILE |
CAS: | 775315-38-3 |
EnglishSynonyms: | 4-(3-METHYL-4-OXO-4H-1-BENZOPYRAN-2-YL)-BENZONITRILE ; BENZONITRILE, 4-(3-METHYL-4-OXO-4H-1-BENZOPYRAN-2-YL)- |
pro_mdlNumber: | MFCD06345803 |
pro_acceptors: | 3 |
pro_donors: | 0 |
pro_smile: | Cc1c(=O)c2ccccc2oc1c3ccc(cc3)C#N |
InChi: | InChI=1S/C17H11NO2/c1-11-16(19)14-4-2-3-5-15(14)20-17(11)13-8-6-12(10-18)7-9-13/h2-9H,1H3 |
InChiKey: | InChIKey=WHNAEROJXWYKEO-UHFFFAOYSA-N |
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