HCID6847

1-Naphthoic acid

naphthalene-1-carboxylic acid

C11H8O2172.18 g/molCAS 1320-04-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cccc2ccccc12
InChIKey: LNETULKMXZVUST-UHFFFAOYSA-N
分子式: C11H8O2
平均分子量: 172.18 g/mol
单同位素质量: 172.05242949

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 200

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 76 条

1-NAPHTHOIC ACID86-55-51-Naphthalenecarboxylic acidnaphthalene-1-carboxylic acidalpha-Naphthoic acid1-Carboxynaphthalene2NIV4O66BHCHEBI:36466NSC-37569DTXSID50861668RefChem:76530DTXCID90810559201-681-9NAPHTHOIC ACIDNaphthalenecarboxylic acid1320-04-3alpha-Naphthylcarboxylic acidMFCD00004007.alpha.-Naphthoic acidNaphthalene-alpha-carboxylic acid

REACTIONS

参与反应

124 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094801B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419976B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699898B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710089B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434687B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447054B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841483B2

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

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