basic_info |
|
| Product_Name： | 3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER |
| CAS： | 936801-70-6 |
| EnglishSynonyms： | 3-CYANO-5-TERT-BUTYL-METHYL BENZOATE ; 3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER ; ABLOCK AB-12-9813 |
| pro_mdlNumber： | MFCD09880200 |
| pro_acceptors： | 3 |
| pro_donors： | 0 |
| pro_smile： | CC(C)(C)c1cc(cc(c1)C(=O)OC)C#N |
| InChi： | InChI=1S/C13H15NO2/c1-13(2,3)11-6-9(8-14)5-10(7-11)12(15)16-4/h5-7H,1-4H3 |
| InChiKey： | InChIKey=DSRARMMVRWKOLG-UHFFFAOYSA-N |
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