basic_info |
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| Product_Name: | 2-(1,3-BENZODIOXOL-5-YL)-BUTANEDIOIC ACID |
| CAS: | 861515-76-6 |
| EnglishSynonyms: | 2-(1,3-BENZODIOXOL-5-YL)-BUTANEDIOIC ACID ; BUTANEDIOIC ACID, 2-(1,3-BENZODIOXOL-5-YL)- |
| pro_mdlNumber: | MFCD01050399 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | c1cc2c(cc1C(CC(=O)O)C(=O)O)OCO2 |
| InChi: | InChI=1S/C11H10O6/c12-10(13)4-7(11(14)15)6-1-2-8-9(3-6)17-5-16-8/h1-3,7H,4-5H2,(H,12,13)(H,14,15) |
| InChiKey: | InChIKey=ZIRWLKGPGSMWRY-UHFFFAOYSA-N |
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