basic_info |
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| Product_Name: | 2,4,5-TRIMETHYL-BENZENEPROPANOIC ACID |
| CAS: | 861565-73-3 |
| EnglishSynonyms: | 2,4,5-TRIMETHYL-BENZENEPROPANOIC ACID ; BENZENEPROPANOIC ACID, 2,4,5-TRIMETHYL- ; 3-(2,4,5-TRIMETHYLPHENYL)PROPANOIC ACID |
| pro_mdlNumber: | MFCD02727721 |
| pro_acceptors: | 2 |
| pro_donors: | 1 |
| pro_smile: | Cc1cc(c(cc1C)CCC(=O)O)C |
| InChi: | InChI=1S/C12H16O2/c1-8-6-10(3)11(7-9(8)2)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChiKey: | InChIKey=AVVVPFWQMHHABW-UHFFFAOYSA-N |
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