basic_info |
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| Product_Name: | 4-[3-(HYDROXYMETHYL)-2,5-DIMETHYL-1H-PYRROL-1-YL]-BENZOIC ACID METHYL ESTER |
| CAS: | 769139-48-2 |
| EnglishSynonyms: | BENZOIC ACID, 4-[3-(HYDROXYMETHYL)-2,5-DIMETHYL-1H-PYRROL-1-YL]-, METHYL ESTER ; 4-[3-(HYDROXYMETHYL)-2,5-DIMETHYL-1H-PYRROL-1-YL]-BENZOIC ACID METHYL ESTER |
| pro_mdlNumber: | MFCD09754543 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | Cc1cc(c(n1c2ccc(cc2)C(=O)OC)C)CO |
| InChi: | InChI=1S/C15H17NO3/c1-10-8-13(9-17)11(2)16(10)14-6-4-12(5-7-14)15(18)19-3/h4-8,17H,9H2,1-3H3 |
| InChiKey: | InChIKey=DUHYJIOXIKUSJC-UHFFFAOYSA-N |
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