basic_info |
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| Product_Name: | 4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE |
| CAS: | 96514-79-3 |
| EnglishSynonyms: | 4-METHYL-A-(2-METHYL-1-OXOPROPYL)-BENZENEACETONITRILE ; BENZENEACETONITRILE, 4-METHYL-A-(2-METHYL-1-OXOPROPYL)- ; 4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE |
| pro_mdlNumber: | MFCD17225833 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | Cc1ccc(cc1)C(C#N)C(=O)C(C)C |
| InChi: | InChI=1S/C13H15NO/c1-9(2)13(15)12(8-14)11-6-4-10(3)5-7-11/h4-7,9,12H,1-3H3 |
| InChiKey: | InChIKey=FMHIJLLRUXZPRD-UHFFFAOYSA-N |
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