basic_info |
|
| Product_Name: | (4-ADAMANTAN-1-YL-PHENOXY)-ACETIC ACID |
| CAS: | 52804-26-9 |
| EnglishSynonyms: | (4-ADAMANTAN-1-YL-PHENOXY)-ACETIC ACID ; 2-[4-(ADAMANTAN-1-YL)PHENOXY]ACETIC ACID ; (4-(1-ADAMANTYL)PHENOXY)ACETIC ACID |
| pro_mdlNumber: | MFCD00168197 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | c1cc(ccc1[C@@]23C[C@H]4C[C@@H](C2)C[C@H](C4)C3)OCC(=O)O |
| InChi: | InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)/t12-,13+,14-,18- |
| InChiKey: | InChIKey=WIWCHWGNONICJI-WXZYKRPKSA-N |
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