basic_info |
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| Product_Name: | 二环[2.2.1]庚烷-2-甲亚胺酸, 甲基酯, (1R,2R,4S)-rel- |
| CAS: | 97005-34-0 |
| 中文同义词: | 二环[2.2.1]庚烷-2-甲亚胺酸, 甲基酯, (1R,2R,4S)-rel- |
| EnglishSynonyms: | 1-BUTANONE,4-HYDROXY-1-(2,4,6-TRIMETHOXYPHENYL) ; 4-HYDROXY-1-(2,4,6-TRIMETHOXYPHENYL)BUTAN-1-ONE |
| pro_mdlNumber: | MFCD09751210 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | COc1cc(c(c(c1)OC)C(=O)CCCO)OC |
| InChi: | InChI=1S/C13H18O5/c1-16-9-7-11(17-2)13(12(8-9)18-3)10(15)5-4-6-14/h7-8,14H,4-6H2,1-3H3 |
| InChiKey: | InChIKey=CCPVPBCKLIVPAY-UHFFFAOYSA-N |
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