basic_info |
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Product_Name: | (4-HYDROXY-3-METHOXY-5-NITRO-PHENYL)-P-TOLYL-METHANONE |
CAS: | 134612-80-9 |
EnglishSynonyms: | (4-HYDROXY-3-METHOXY-5-NITRO-PHENYL)-P-TOLYL-METHANONE ; METHANONE, (4-HYDROXY-3-METHOXY-5-NITROPHENYL)(4-METHYLPHENYL)- ; (4-HYDROXY-3-METHOXY-5-NITROPHENYL)(4-METHYLPHENYL)-METHANONE ; METHANONE,(4-HYDROXY-3-METHOXY-5-NITROPHENYL)(4-METHYLPHENYL)- ; 3-O-METHYL TOLCAPONE |
pro_mdlNumber: | MFCD12545750 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_smile: | Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] |
InChi: | InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3 |
InChiKey: | InChIKey=VCNSNEJUGBEWTA-UHFFFAOYSA-N |
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