basic_info |
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| Product_Name: | 4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID |
| CAS: | 92532-08-6 |
| EnglishSynonyms: | BENZOIC ACID, 4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]- ; 4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID |
| pro_mdlNumber: | MFCD17171065 |
| pro_acceptors: | 4 |
| pro_donors: | 2 |
| pro_smile: | CCCCCC(c1cccc(c1)OCc2ccc(cc2)C(=O)O)O |
| InChi: | InChI=1S/C20H24O4/c1-2-3-4-8-19(21)17-6-5-7-18(13-17)24-14-15-9-11-16(12-10-15)20(22)23/h5-7,9-13,19,21H,2-4,8,14H2,1H3,(H,22,23) |
| InChiKey: | InChIKey=YLKOTXIXPRBEMV-UHFFFAOYSA-N |
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