HRID38301
uspto-grants-2013_09
作为反应物
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524729B2
查看条件与参与物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
- XLogP
- 1.3
- 极性表面积
- 63.6 Ų
- 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
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
HRID91692
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID179516
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID639741
uspto-grants-2010_04
作为反应物
uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2
查看条件与参与物HRID639743
uspto-grants-2010_04
作为反应物
uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2
查看条件与参与物HRID639745
uspto-grants-2010_04
作为反应物
uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691883B2
查看条件与参与物HRID809920
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1148857
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物