basic_info |
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Product_Name: | MAGNESIUM 4-NITROBENZYL MALONATE HYDRATE |
CAS: | 75321-09-4 |
EnglishSynonyms: | MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT HYDRATE ; MAGNESIUM 4-NITROBENZYL MALONATE HYDRATE |
pro_mdlNumber: | MFCD09037357 |
pro_acceptors: | 7 |
pro_donors: | 0 |
pro_smile: | c1cc(ccc1COC(=O)CC(=O)[O-])[N+](=O)[O-].c1cc(ccc1COC(=O)CC(=O)[O-])[N+](=O)[O-].O.[Mg+2] |
InChi: | InChI=1S/2C10H9NO6.Mg.H2O/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;;/h2*1-4H,5-6H2,(H,12,13);;1H2/q;;+2;/p-2 |
InChiKey: | InChIKey=YBYPQJVVTJGLIW-UHFFFAOYSA-L |
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