basic_info |
|
| Product_Name： | 克罗米腈 |
| CAS： | 53736-51-9 |
| 中文同义词： | 克罗米腈 |
| EnglishSynonyms： | CROMITRILE |
| pro_mdlNumber： | MFCD01937519 |
| pro_acceptors： | 10 |
| pro_donors： | 2 |
| pro_smile： | c1cc2c(c(c1)OCC(COc3ccc(cc3)C#N)O)C(=O)CC(O2)c4[nH]nnn4 |
| InChi： | InChI=1S/C20H17N5O5/c21-9-12-4-6-14(7-5-12)28-10-13(26)11-29-16-2-1-3-17-19(16)15(27)8-18(30-17)20-22-24-25-23-20/h1-7,13,18,26H,8,10-11H2,(H,22,23,24,25) |
| InChiKey： | InChIKey=QYDSIZRSMBRGCK-UHFFFAOYSA-N |
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