basic_info |
|
| Product_Name： | CAFFEINE MONOHYDRIODIDE |
| CAS： | 17135-90-9 |
| EnglishSynonyms： | CAFFEINE MONOHYDRIODIDE |
| pro_mdlNumber： | MFCD01737728 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | Cn1cnc2c1c(=O)n(c(=O)n2C)C.I |
| InChi： | InChI=1S/C8H10N4O2.HI/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H |
| InChiKey： | InChIKey=KBOPLBWQIZNEFF-UHFFFAOYSA-N |
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