Epirengynic acid
HIT213511178
sdf文件结构编辑类似物检索
HIT ID: HIT213511178
Cas No: 1310146-00-9;517883-38-4
分子式: C8H14O4
分子量: 174.196
常用名: Epirengynic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(1r,4r)-1,4-dihydroxycyclohexyl]acetic acid
IUPAC: 2-[(1r,4r)-1,4-dihydroxycyclohexyl]acetic acid
SMILES: [H][C@]1(O)CC[C@@](O)(CC(O)=O)CC1 |wU:1.1,5.6,wD:1.0,5.5,(2.67,3.08,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,;1.33,-.77,;2.32,-1.95,;.34,-1.95,;-1.17,-1.68,;-1.7,-.24,;-2.16,-2.86,;;,1.54,)|
SMILES: [H][C@]1(O)CC[C@@](O)(CC(O)=O)CC1 |wU:1.1,5.6,wD:1.0,5.5,(2.67,3.08,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,;1.33,-.77,;2.32,-1.95,;.34,-1.95,;-1.17,-1.68,;-1.7,-.24,;-2.16,-2.86,;;,1.54,)|
InChI key: LHDVONJKFJRQTI-FKQCQYRASA-N
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