basic_info |
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| Product_Name： | 3-(4-METHYLPHENYL)PENTANOIC ACID |
| CAS： | 57960-06-2 |
| EnglishSynonyms： | BENZENEPROPANOIC ACID, BETA-ETHYL-4-METHYL- ; BETA-ETHYL-4-METHYL-BENZENEPROPANOIC ACID ; 3-(4-METHYLPHENYL)PENTANOIC ACID |
| pro_mdlNumber： | MFCD08282293 |
| pro_acceptors： | 2 |
| pro_donors： | 1 |
| pro_smile： | CCC(CC(=O)O)c1ccc(cc1)C |
| InChi： | InChI=1S/C12H16O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14) |
| InChiKey： | InChIKey=KPEUQALJJUQYKQ-UHFFFAOYSA-N |
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