basic_info |
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| Product_Name： | 3-METHYL-GABA |
| CAS： | 71424-95-8 |
| EnglishSynonyms： | 3-METHYL-GABA ; (+/-)-4-AMINO-3-METHYLBUTANOIC ACID HEMI NAPHTHALENE-1,5-DISULFONIC ACID |
| pro_mdlNumber： | MFCD00209878 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | CC(CC(=O)O)CN.CC(CC(=O)O)CN.c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O |
| InChi： | InChI=1S/C10H8O6S2.2C5H11NO2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-4(3-6)2-5(7)8/h1-6H,(H,11,12,13)(H,14,15,16);2*4H,2-3,6H2,1H3,(H,7,8) |
| InChiKey： | InChIKey=XDPUYXWLPXNCDY-UHFFFAOYSA-N |
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