basic_info |
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Product_Name: | 3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE |
CAS: | 53563-10-3 |
EnglishSynonyms: | 3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE |
pro_mdlNumber: | MFCD00020748 |
pro_acceptors: | 4 |
pro_donors: | 0 |
pro_smile: | CC1=NN(C(=O)C1)c2cccc(c2)C#N |
InChi: | InChI=1S/C11H9N3O/c1-8-5-11(15)14(13-8)10-4-2-3-9(6-10)7-12/h2-4,6H,5H2,1H3 |
InChiKey: | InChIKey=CVLCVKPNBWPZGU-UHFFFAOYSA-N |
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