basic_info |
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Product_Name: | 2-(4-METHOXY-BENZYL)-PENTANEDIOIC ACID |
CAS: | 51180-06-4 |
EnglishSynonyms: | 2-(4-METHOXY-BENZYL)-PENTANEDIOIC ACID |
pro_mdlNumber: | MFCD09835789 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | COc1ccc(cc1)CC(CCC(=O)O)C(=O)O |
InChi: | InChI=1S/C13H16O5/c1-18-11-5-2-9(3-6-11)8-10(13(16)17)4-7-12(14)15/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)(H,16,17) |
InChiKey: | InChIKey=QAGRHZZESTUTBP-UHFFFAOYSA-N |
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