uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524752B2
查看IDENTITY
结构与身份
- 标准SMILES
- OCCCOc1ccc(CO)cc1
- InChIKey
- AQNNEQFUCANLFG-UHFFFAOYSA-N
- 分子式
- C10H14O3
- 平均分子量
- 182.22 g/mol
- 单同位素质量
- 182.0942943
COMPUTED
结构计算性质
- XLogP
- 0.8
- 极性表面积
- 49.7 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 119
ALIASES
名称与别名
341035-93-63-[4-(hydroxymethyl)phenoxy]propan-1-ol3-(4-(Hydroxymethyl)phenoxy)propan-1-olBenzenemethanol, 4-(3-hydroxypropoxy)-3-(4-Hydroxymethylphenoxy)propan-1-olSCHEMBL945747DTXSID50466470AQNNEQFUCANLFG-UHFFFAOYSA-N3-(4-hydroxymethyl-phenoxy)-propan-1-olDB-330756
REACTIONS
参与反应
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