basic_info |
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Product_Name: | 4-(4-乙基环己基)-4-甲基戊烷-2-酮 |
CAS: | 89541-55-9 |
中文同义词: | 4-(4-乙基环己基)-4-甲基戊烷-2-酮 |
EnglishSynonyms: | 5-(4-ACETAMIDOPHENYL)PYRAZIN-2(1H)-ONE |
pro_mdlNumber: | MFCD00869358 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | CC(=O)Nc1ccc(cc1)c2c[nH]c(=O)cn2 |
InChi: | InChI=1S/C12H11N3O2/c1-8(16)15-10-4-2-9(3-5-10)11-6-14-12(17)7-13-11/h2-7H,1H3,(H,14,17)(H,15,16) |
InChiKey: | InChIKey=HKRDYSUZYCDGCG-UHFFFAOYSA-N |
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