HCID3017967

3-(3-Fluoro-4-hydroxyphenyl)propionic acid

3-(3-fluoro-4-hydroxyphenyl)propanoic acid

C9H9FO3184.16 g/molCAS 69888-91-1

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCc1ccc(O)c(F)c1
InChIKey: RMXXLSLLEBZFBS-UHFFFAOYSA-N
分子式: C9H9FO3
平均分子量: 184.16 g/mol
单同位素质量: 184.05357231

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 184

ALIASES

名称与别名

共 14 条

69888-91-13-(3-fluoro-4-hydroxyphenyl)propanoic acid3-(3-Fluoro-4-hydroxyphenyl)propionic acidMFCD18396901EINECS 274-187-4SCHEMBL3336184SCHEMBL30782466DTXSID709901663-(3-fluoro-4-hydroxyphenyl)propanoicacidNS000631283-(3-fluoro-4-hydroxy-phenyl)propanoic acidF52917EN300-1858359A1-37796

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2005_03 · 10.6084/m9.figshare.5104873.v1 · US06867320B2

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uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07470807B2

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