basic_info |
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Product_Name: | 3-METHYL-4-(5-PHENYL-1H-1,2,4-TRIAZOL-3-YL)BUTANOIC ACID |
EnglishSynonyms: | 3-METHYL-4-(5-PHENYL-1H-1,2,4-TRIAZOL-3-YL)BUTANOIC ACID |
pro_mdlNumber: | MFCD17409972 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | CC(Cc1nc([nH]n1)c2ccccc2)CC(=O)O |
InChi: | InChI=1S/C13H15N3O2/c1-9(8-12(17)18)7-11-14-13(16-15-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H,14,15,16) |
InChiKey: | InChIKey=VLTJHZYVGHKZBW-UHFFFAOYSA-N |
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