basic_info |
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| Product_Name: | 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER |
| CAS: | 33577-98-9 |
| EnglishSynonyms: | 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER ; 4-(3-HYDROXY-3-METHYL-1-BUTYN-1-YL)-BENZOIC ACID METHYL ESTER ; METHYL 4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOATE ; BENZOIC ACID, 4-(3-HYDROXY-3-METHYL-1-BUTYN-1-YL)-, METHYL ESTER ; METHYL 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOATE |
| pro_mdlNumber: | MFCD00168836 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C#Cc1ccc(cc1)C(=O)OC)O |
| InChi: | InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3 |
| InChiKey: | InChIKey=HPQVSXSPVIQMCE-UHFFFAOYSA-N |
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