basic_info |
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| Product_Name： | 3-(4-ACETOXYPHENYL)ADAMANTANECARBOXYLIC ACID |
| CAS： | 126164-69-0 |
| EnglishSynonyms： | 3-(4-ACETOXYPHENYL)ADAMANTANECARBOXYLIC ACID |
| pro_mdlNumber： | MFCD01678056 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | CC(=O)Oc1ccc(cc1)[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)C(=O)O |
| InChi： | InChI=1S/C19H22O4/c1-12(20)23-16-4-2-15(3-5-16)18-7-13-6-14(8-18)10-19(9-13,11-18)17(21)22/h2-5,13-14H,6-11H2,1H3,(H,21,22)/t13-,14+,18+,19- |
| InChiKey： | InChIKey=OKQMIIAVSFZFNN-BZUPMSHVSA-N |
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