basic_info |
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Product_Name: | 1-ACETYL-4,5-DIMETHYL-3-PYRAZOLECARBOXYLIC ACID |
CAS: | 856063-84-8 |
EnglishSynonyms: | 3-PYRAZOLECARBOXYLIC ACID, 1-ACETYL-4,5-DIMETHYL- ; 1-ACETYL-4,5-DIMETHYL-3-PYRAZOLECARBOXYLIC ACID |
pro_mdlNumber: | MFCD16878126 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | Cc1c(n(nc1C(=O)O)C(=O)C)C |
InChi: | InChI=1S/C8H10N2O3/c1-4-5(2)10(6(3)11)9-7(4)8(12)13/h1-3H3,(H,12,13) |
InChiKey: | InChIKey=SMSKFDCWQRJRNV-UHFFFAOYSA-N |
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