basic_info |
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| Product_Name: | 1H-INDOLE-1-CARBOXYLIC ACID, 5-(3-HYDROXY-1-PROPENYL)-, 1,1-DIMETHYLETHYL ESTER |
| CAS: | 561307-72-0 |
| EnglishSynonyms: | 1H-INDOLE-1-CARBOXYLIC ACID, 5-(3-HYDROXY-1-PROPENYL)-, 1,1-DIMETHYLETHYL ESTER |
| pro_mdlNumber: | MFCD13183416 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C)OC(=O)n1ccc2c1ccc(c2)/C=C/CO |
| InChi: | InChI=1S/C16H19NO3/c1-16(2,3)20-15(19)17-9-8-13-11-12(5-4-10-18)6-7-14(13)17/h4-9,11,18H,10H2,1-3H3/b5-4+ |
| InChiKey: | InChIKey=SBONVRCRQDJCFG-SNAWJCMRSA-N |
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