basic_info |
|
| Product_Name： | THEOPHYLLINE-8-ACETIC ACID |
| CAS： | 5439-51-0 |
| EnglishSynonyms： | THEOPHYLLINE-8-ACETIC ACID |
| pro_mdlNumber： | MFCD00224892 |
| pro_acceptors： | 8 |
| pro_donors： | 2 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CC(=O)O |
| InChi： | InChI=1S/C9H10N4O4/c1-12-7-6(8(16)13(2)9(12)17)10-4(11-7)3-5(14)15/h3H2,1-2H3,(H,10,11)(H,14,15) |
| InChiKey： | InChIKey=ROGKZDYGTGQMHE-UHFFFAOYSA-N |
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