HCID22250077

5-Hydroxy-2-methyl-1h-indole-3-carbonitrile

C10H8N2O172.18 g/molCAS 481668-38-6

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IDENTITY

结构与身份

标准SMILES: Cc1[nH]c2ccc(O)cc2c1C#N
InChIKey: DBJDRFMQPPWZEL-UHFFFAOYSA-N
分子式: C10H8N2O
平均分子量: 172.18 g/mol
单同位素质量: 172.06366288

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 59.8 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 245

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

5-hydroxy-2-methyl-1h-indole-3-carbonitrileSCHEMBL5838273DBJDRFMQPPWZEL-UHFFFAOYSA-NDTXSID601260635481668-38-65-Hydroxy-2-methyl-1 H-indole-3-carbonitrile

REACTIONS

参与反应

3 条

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

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uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US06995171B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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