basic_info |
|
| Product_Name： | TYROPANIC ACID |
| CAS： | 27293-82-9 |
| EnglishSynonyms： | TYROPANIC ACID ; TYROPANOIC ACID |
| pro_mdlNumber： | MFCD00867926 |
| pro_acceptors： | 4 |
| pro_donors： | 2 |
| pro_smile： | CCCC(=O)Nc1c(cc(c(c1I)CC(CC)C(=O)O)I)I |
| InChi： | InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22) |
| InChiKey： | InChIKey=YMOXVLQZFAUUKI-UHFFFAOYSA-N |
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