HCID11840

5-Methylisatin

5-methyl-1H-indole-2,3-dione

C9H7NO2161.16 g/molCAS 608-05-9

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IDENTITY

结构与身份

标准SMILES: Cc1ccc2c(c1)C(=O)C(=O)N2
InChIKey: VAJCSPZKMVQIAP-UHFFFAOYSA-N
分子式: C9H7NO2
平均分子量: 161.16 g/mol
单同位素质量: 161.04767847

COMPUTED

结构计算性质

等待补全

XLogP: 1.2
极性表面积: 46.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 237

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 68 条

5-Methylisatin608-05-95-Methyl-1H-indole-2,3-dione1H-Indole-2,3-dione, 5-methyl-INDOLE-2,3-DIONE, 5-METHYL-Isatin, 5-methyl-AK8XAB7PS8NSC-9398DTXSID00209637RefChem:537288DTXCID50132128210-152-15-Methylindoline-2,3-dione5-Methylindole-2,3-dione5-Methyl-2,3-indolinedioneMFCD000057215-Methyl-2,3-Dihydro-1H-Indole-2,3-Dione5-Methyl-indole-2,3-dione5-methyl-1H-benzo[d]azolidine-2,3-dione5-Methylindole-2,3(1H)-dione

REACTIONS

参与反应

90 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248684

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855730B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855730B2

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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 (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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uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04847381

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863270B2

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