basic_info |
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| Product_Name: | 3-[5-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-3-YL]BENZOIC ACID |
| EnglishSynonyms: | 3-[5-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-3-YL]BENZOIC ACID |
| pro_mdlNumber: | MFCD17408371 |
| pro_acceptors: | 5 |
| pro_donors: | 2 |
| pro_smile: | CC(C)c1[nH]nc(n1)c2cccc(c2)C(=O)O |
| InChi: | InChI=1S/C12H13N3O2/c1-7(2)10-13-11(15-14-10)8-4-3-5-9(6-8)12(16)17/h3-7H,1-2H3,(H,16,17)(H,13,14,15) |
| InChiKey: | InChIKey=NGAVBYZLXBZJDE-UHFFFAOYSA-N |
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