HCID6844

1-Hydroxy-2-naphthoic acid

1-hydroxynaphthalene-2-carboxylic acid

C11H8O3188.18 g/molCAS 86-48-6

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc2ccccc2c1O
InChIKey: SJJCQDRGABAVBB-UHFFFAOYSA-N
分子式: C11H8O3
平均分子量: 188.18 g/mol
单同位素质量: 188.04734411

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 227

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 77 条

1-Hydroxy-2-naphthoic acid86-48-61-hydroxynaphthalene-2-carboxylic acid1-Naphthol-2-carboxylic acid2-Carboxy-1-naphtholXinafoic acid2-Naphthalenecarboxylic acid, 1-hydroxy-1-HYDROXY-2-NAPHTHALENECARBOXYLIC ACIDU8LZ3R07L8DTXSID5058937NSC-3717CHEBI:36108RefChem:433115DTXCID0048503201-674-0MFCD000039602-Naphthoic acid, 1-hydroxy-CARBOXYNAPHTHOLCHEMBL229299F2191-0001

REACTIONS

参与反应

87 条

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420362

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uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420362

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uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420362

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541380B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822515B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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

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