basic_info |
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Product_Name: | 1-BENZYL-3-(3,4-DIMETHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID |
CAS: | 956199-09-0 |
EnglishSynonyms: | 1-BENZYL-3-(3,4-DIMETHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ; 1-BENZYL-3-(3,4-DIMETHYLPHENYL)PYRAZOLE-4-CARBOXYLIC ACID |
pro_mdlNumber: | MFCD06375943 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1ccc(cc1C)c2c(cn(n2)Cc3ccccc3)C(=O)O |
InChi: | InChI=1S/C19H18N2O2/c1-13-8-9-16(10-14(13)2)18-17(19(22)23)12-21(20-18)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23) |
InChiKey: | InChIKey=RWSJENDVBDXIOU-UHFFFAOYSA-N |
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