HCID54677403

3-Acetyl-4-hydroxy-2H-chromen-2-one

3-acetyl-4-hydroxychromen-2-one

C11H8O4204.18 g/molCAS 2555-37-5

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: CC(=O)c1c(O)c2ccccc2oc1=O
InChIKey: UTZHUXAPJIBIBQ-UHFFFAOYSA-N
分子式: C11H8O4
平均分子量: 204.18 g/mol
单同位素质量: 204.04225873

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 63.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 15
形式电荷: 0
复杂度: 342

ALIASES

名称与别名

共 39 条

3-Acetyl-4-hydroxy-2H-chromen-2-one2555-37-53-Acetyl-4-hydroxy-2-benzopyrone3-acetyl-4-hydroxycoumarin3-acetyl-4-hydroxychromen-2-one3-acetyl-4-hydroxy-2H-1-Benzopyran-2-one2H-1-benzopyran-2-one, 3-acetyl-4-hydroxy-MFCD001381333-acetyl-4-hydroxy-chromen-2-oneNSC1184043DSV8PKL9CHEMBL2048083NSC-118403-Acetyl-4-hydroxy-2H-1-benzopyran-2-one; NSC 11840; 4-Hydroxy-3-acetylcoumarin; 3-Acetyl-4-hydroxy-2H-chromen-2-oneEINECS 219-866-8NSC 11840acetyl hydroxy chromoneUNII-43DSV8PKL9SCHEMBL3527681SCHEMBL30933370

REACTIONS

参与反应

10 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524729B2

查看

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

查看

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

查看

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04260776

查看

uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2

查看

uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2

查看

uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看