uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05621071
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IDENTITY
结构与身份
- 标准SMILES
- Oc1ccc(C=Cc2ccccc2)cc1
- InChIKey
- QVLMUEOXQBUPAH-UHFFFAOYSA-N
- 分子式
- C14H12O
- 平均分子量
- 196.24 g/mol
- 单同位素质量
- 196.088815
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 195
ALIASES
名称与别名
Stilben-4-olCHEBI:36664RefChem:99410223-328-83839-46-14-Hydroxystilbene4-stilbenol4-hydroxy stilbeneS6E4ZX5JSS4-Hydroxystilbene, trans-monostyrylphenolEINECS 229-483-8UNII-S6E4ZX5JSSSCHEMBL27993SCHEMBL54687004-(2-Phenylethen-1-yl)phenolSCHEMBL11073952SCHEMBL27739614DTXSID00859979QVLMUEOXQBUPAH-UHFFFAOYSA-N
REACTIONS
参与反应
uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05001004
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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05486580
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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076329B2
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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04598091
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uspto-grants-1994_05 · 10.6084/m9.figshare.5104873.v1 · US05314693
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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