HCID67264141

1-Methoxy-2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one

4-methoxy-3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

C12H13NO4235.24 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1c([N+](=O)[O-])ccc2c1CCC(=O)CC2
InChIKey: NLYLNTORHPILIG-UHFFFAOYSA-N
分子式: C12H13NO4
平均分子量: 235.24 g/mol
单同位素质量: 235.0844579

COMPUTED

结构计算性质

等待补全

XLogP: 1.7
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 312

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

1-METHOXY-2-NITRO-8,9-DIHYDRO-5H-BENZO[7]ANNULEN-7(6H)-ONE1375080-90-21022957-96-5SCHEMBL2061726NLYLNTORHPILIG-UHFFFAOYSA-N1-methoxy-2-nitro-5,6,8,9-tetrahydro-benzocyclohepten-7-one1-Methoxy-2-nitro-5,6,8,9-tetrahydro-7H-benzo[7]annulen-7-one

REACTIONS

参与反应

9 条

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

查看

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2

查看

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2

查看

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看

uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148391B2

查看

uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148391B2

查看