HCID13662999

Methyl 5-hydroxybenzo[b]thiophene-2-carboxylate

methyl 5-hydroxy-1-benzothiophene-2-carboxylate

C10H8O3S208.24 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc2cc(O)ccc2s1
InChIKey: SVTGSWWZGBGGJZ-UHFFFAOYSA-N
分子式: C10H8O3S
平均分子量: 208.24 g/mol
单同位素质量: 208.01941529

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 74.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 231

ALIASES

名称与别名

共 14 条

82788-15-6methyl 5-hydroxybenzo[b]thiophene-2-carboxylateMFCD13193055Methyl 5-hydroxybenzothiophene-2-carboxylateMETHYL 5-HYDROXY-1-BENZOTHIOPHENE-2-CARBOXYLATEBenzo[b]thiophene-2-carboxylic acid, 5-hydroxy-, methyl esterSCHEMBL3641925SVTGSWWZGBGGJZ-UHFFFAOYSA-NAKOS017343578SY463506H83008Methyl5-hydroxybenzo[b]thiophene-2-carboxylate5-Hydroxy-benzo[b]thiophene-2-carboxylic acid methyl ester5-Hydroxybenzo[b]thiophene-2-carboxylic acid methyl ester

REACTIONS

参与反应

8 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 138985 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

HRID 199389 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

uspto-grants-2009_05

作为反应物

HRID 493179 方程式

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07534788B2

uspto-grants-1983_10

作为反应物

HRID 648035 方程式

uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04410539

uspto-grants-1983_10

作为反应物

HRID 648040 方程式

uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04410539

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

作为反应物

HRID 1237353 方程式

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

uspto-grants-1985_11

作为反应物

HRID 1583356 方程式

uspto-grants-1985_11 · 10.6084/m9.figshare.5104873.v1 · US04551468

uspto-grants-1985_11

作为反应物

HRID 1583361 方程式

uspto-grants-1985_11 · 10.6084/m9.figshare.5104873.v1 · US04551468