basic_info |
|
| Product_Name： | XANTHOXYLOL |
| CAS： | 111407-29-5 |
| EnglishSynonyms： | XANTHOXYLOL |
| pro_mdlNumber： | MFCD02752796 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@@H]([C@@H]3CO2)c4ccc5c(c4)COC5 |
| InChi： | InChI=1S/C21H22O5/c1-23-19-7-13(4-5-18(19)22)21-17-11-25-20(16(17)10-26-21)12-2-3-14-8-24-9-15(14)6-12/h2-7,16-17,20-22H,8-11H2,1H3/t16-,17-,20-,21+/m1/s1 |
| InChiKey： | InChIKey=CORUSJDEBICCDD-DGQTTZFYSA-N |
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