HCID799108

methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate

methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C14H15NO2229.27 g/molCAS 302557-44-4

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIKey: BKZXJPQRDUHCJB-UHFFFAOYSA-N
分子式: C14H15NO2
平均分子量: 229.27 g/mol
单同位素质量: 229.11027872

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 42.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 305

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 22 条

methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate302557-44-4methyl 5,6,7,8,9-pentahydro-4aH-carbazole-3-carboxylateChemDiv2_000820Oprea1_314075Oprea1_366804SCHEMBL4024926SCHEMBL30523171BKZXJPQRDUHCJB-UHFFFAOYSA-NDTXSID901220547HMS1371F06CCG-20508SBB017274STL302866AKOS000431703ST077235DB-101384EU-0045200AB00122183-01SR-01000495654

REACTIONS

参与反应

2 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713473B1

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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