basic_info |
|
| Product_Name： | KETONITRIL |
| CAS： | 142287-55-6 |
| EnglishSynonyms： | KETONITRIL |
| pro_mdlNumber： | MFCD10566427 |
| pro_acceptors： | 3 |
| pro_donors： | 0 |
| pro_smile： | O=C(CC1=CC=CC=C1)C(C#N)C1=NC2=C(S1)C=CC=C2 |
| InChi： | InChI=1S/C17H12N2OS/c18-11-13(15(20)10-12-6-2-1-3-7-12)17-19-14-8-4-5-9-16(14)21-17/h1-9,13H,10H2 |
| InChiKey： | InChIKey=QFZUWOHTMIGOIJ-UHFFFAOYSA-N |
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