basic_info |
|
| Product_Name: | 2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL- |
| CAS: | 828912-43-2 |
| EnglishSynonyms: | 2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL- |
| pro_mdlNumber: | MFCD17017779 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | C\C=C\C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 |
| InChi: | InChI=1S/C13H22O2/c1-5-6-12(14)15-11-7-10(2)8-13(3,4)9-11/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t10-,11+/m0/s1 |
| InChiKey: | InChIKey=YYXFUOKJVHMJDQ-PFDYWKIBSA-N |
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