7-Hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
7-Hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid · CAS 61597-83-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7-Hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- CAS
- 61597-83-9
- CID
- 246620
- IUPAC 名称
- 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7-Hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- CAS
- 61597-83-9
- CID
- 246620
- IUPAC 名称
- 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
分子属性
- 分子式
- C17H22O3
- 分子量
- 274.35 g/mol
- 精确质量
- 274.15689456 Da
- 单同位素质量
- 274.15689456 Da
- XLogP
- 4.1
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子数
- 20
- 净电荷
- 0
- 结构复杂度
- 407
结构标识
- InChIKey
- DWHTYLMRWXUGJL-UHFFFAOYSA-N
- SMILES
- CC12CCCC(C1CCC3=C2C=CC(=C3)O)(C)C(=O)O
- InChI
- InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)