basic_info |
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Product_Name: | 1-(2-BENZOTHIAZOLYL)-5-HYDROXY-3-METHYL-1H-PYRAZOLE-4-ACETIC ACID |
CAS: | 84968-78-5 |
EnglishSynonyms: | 1-(2-BENZOTHIAZOLYL)-5-HYDROXY-3-METHYL-1H-PYRAZOLE-4-ACETIC ACID |
pro_mdlNumber: | MFCD01693740 |
pro_acceptors: | 6 |
pro_donors: | 2 |
pro_smile: | Cc1c(c(n(n1)c2nc3ccccc3s2)O)CC(=O)O |
InChi: | InChI=1S/C13H11N3O3S/c1-7-8(6-11(17)18)12(19)16(15-7)13-14-9-4-2-3-5-10(9)20-13/h2-5,19H,6H2,1H3,(H,17,18) |
InChiKey: | InChIKey=XSXXMVHWGZOOMC-UHFFFAOYSA-N |
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