basic_info |
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| Product_Name: | ALPHA-ETHYL-2,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER |
| CAS: | 1247925-13-8 |
| EnglishSynonyms: | BENZENEACETIC ACID, ALPHA-ETHYL-2,5-DIMETHYL-, ETHYL ESTER ; ALPHA-ETHYL-2,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER ; ETHYL 2-(2,5-DIMETHYLPHENYL)BUTANOATE |
| pro_mdlNumber: | MFCD16794455 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | CCC(c1cc(ccc1C)C)C(=O)OCC |
| InChi: | InChI=1S/C14H20O2/c1-5-12(14(15)16-6-2)13-9-10(3)7-8-11(13)4/h7-9,12H,5-6H2,1-4H3 |
| InChiKey: | InChIKey=ABEQJWDDKSOPKI-UHFFFAOYSA-N |
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