基本信息 |
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产品名称: | 1-羟基-1H-吡唑 |
CAS: | 81571-25-7 |
中文同义词: | 1-羟基-1H-吡唑 |
英文同义词: | VLE |
MDL号: | MFCD01766275 |
氢键受体数量: | 13 |
氢键供体数量: | 5 |
Smile: | CCC(=O)[C@H](CC(C)C)NC(=O)[C@@]1([C@H]2[C@]3(CCN4[C@H]3[C@]([C@H]1O)(C=CC4)CC)c5cc(c(cc5N2C)OC)[C@]6(C[C@H]7C[C@](CN(C7)CCc8c6[nH]c9c8cccc9)(CC)O)C(=O)OC)O |
InChi: | InChI=1S/C51H69N5O8/c1-9-39(57)37(23-30(4)5)53-45(59)51(62)43-49(19-22-56-20-14-18-48(11-3,42(49)56)44(51)58)34-24-35(40(63-7)25-38(34)54(43)6)50(46(60)64-8)27-31-26-47(61,10-2)29-55(28-31)21-17-33-32-15-12-13-16-36(32)52-41(33)50/h12-16,18,24-25,30-31,37,42-44,52,58,61-62H,9-11,17,19-23,26-29H2,1-8H3,(H,53,59)/t31-,37+,42+,43-,44-,47+,48-,49-,50+,51+/m1/s1 |
InChiKey: | InChIKey=KAYBVVTUKYHPKE-UPYASPNTSA-N |
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