basic_info |
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| Product_Name： | 1,3-BENZODIOXOLE-5-PROPANENITRILE, 6-AMINO-BETA-OXO- |
| CAS： | 53616-58-3 |
| EnglishSynonyms： | 6-AMINO-BETA-OXO-1,3-BENZODIOXOLE-5-PROPANENITRILE ; 1,3-BENZODIOXOLE-5-PROPANENITRILE, 6-AMINO-BETA-OXO- |
| pro_mdlNumber： | MFCD18801113 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | c1c(c(cc2c1OCO2)N)CC(=O)C#N |
| InChi： | InChI=1S/C10H8N2O3/c11-4-7(13)1-6-2-9-10(3-8(6)12)15-5-14-9/h2-3H,1,5,12H2 |
| InChiKey： | InChIKey=XRYVJGQZANDWLF-UHFFFAOYSA-N |
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