Name: cis-p-Menthan-1,8-diol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212671810
Cas No:565-48-0
常用名:cis-p-Menthan-1,8-diol
别名:4-p-Menthan-1,8-diol
IUPAC:(1s,4s)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
IUPAC:(1s,4s)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
InChI key:RBNWAMSGVWEHFP-WAAGHKOSSA-N

分子式:C10H20O2
分子量:172.268
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:1.026
SMILES:CC(C)(O)[C@H]1CC[C@@](C)(O)CC1 |wU:4.3,7.8,wD:7.7,(1.33,-3.85,;1.33,-2.31,;-.21,-2.31,;2.87,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;.34,3.49,;2.32,3.49,;2.67,1.54,;2.67,,)|
SMILES:CC(C)(O)[C@H]1CC[C@@](C)(O)CC1 |wU:4.3,7.8,wD:7.7,(1.33,-3.85,;1.33,-2.31,;-.21,-2.31,;2.87,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;.34,3.49,;2.32,3.49,;2.67,1.54,;2.67,,)|

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