basic_info |
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| Product_Name: | 2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-BENZOIC ACID 1-METHYLETHYL ESTER |
| CAS: | 928708-19-4 |
| EnglishSynonyms: | BENZOIC ACID, 2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-, 1-METHYLETHYL ESTER ; 2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-BENZOIC ACID 1-METHYLETHYL ESTER |
| pro_mdlNumber: | MFCD08753641 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | Cc1cc(c(n1c2ccccc2C(=O)OC(C)C)C)C=O |
| InChi: | InChI=1S/C17H19NO3/c1-11(2)21-17(20)15-7-5-6-8-16(15)18-12(3)9-14(10-19)13(18)4/h5-11H,1-4H3 |
| InChiKey: | InChIKey=JHUFUVUZPNGZST-UHFFFAOYSA-N |
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