basic_info |
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Product_Name: | 1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-3-PYRAZOLIN-4-CARBALDEHYDE |
CAS: | 473681-77-5 |
EnglishSynonyms: | 1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-3-PYRAZOLIN-4-CARBALDEHYDE |
pro_mdlNumber: | MFCD17019215 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1ccc(cc1C)n2c(=O)c(c([nH]2)C)C=O |
InChi: | InChI=1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)15-13(17)12(7-16)10(3)14-15/h4-7,14H,1-3H3 |
InChiKey: | InChIKey=XGMHWNUWJIFQBO-UHFFFAOYSA-N |
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