basic_info |
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Product_Name: | TRANS-ACONITIC ACID TRIMETHYL ESTER |
CAS: | 4271-99-2 |
EnglishSynonyms: | TRANS-ACONITIC ACID TRIMETHYL ESTER ; TRIMETHYL TRANS-ACONITATE |
pro_mdlNumber: | MFCD00059304 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | COC(=O)C/C(=C\C(=O)OC)/C(=O)OC |
InChi: | InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+ |
InChiKey: | InChIKey=DZAIBGWGBBQGPZ-GQCTYLIASA-N |
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