basic_info |
|
| Product_Name： | 3-ADAMANTAN-1-YL-6-ACETOXYBENZOIC ACID |
| CAS： | 312747-77-6 |
| EnglishSynonyms： | 3-ADAMANTAN-1-YL-6-ACETOXYBENZOIC ACID |
| pro_mdlNumber： | MFCD00168193 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | CC(=O)Oc1ccc(cc1C(=O)O)[C@@]23C[C@H]4C[C@@H](C2)C[C@H](C4)C3 |
| InChi： | InChI=1S/C19H22O4/c1-11(20)23-17-3-2-15(7-16(17)18(21)22)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,21,22)/t12-,13+,14-,19- |
| InChiKey： | InChIKey=PUYBEUDIKYCSAG-KRFSREQESA-N |
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