uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04610816
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(O)C(=O)Cc1ccc(-c2ccccc2)cc1
- InChIKey
- YLSFJNHIOYAOHZ-UHFFFAOYSA-N
- 分子式
- C15H12O3
- 平均分子量
- 240.25 g/mol
- 单同位素质量
- 240.07864424
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 54.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 297
物化、安全与法规信息正在同步。
ALIASES
名称与别名
91853-46-22-oxo-3-(4-phenylphenyl)propanoic acidRefChem:477735811-366-34-Biphenylylpyruvic Acid[1,1'-Biphenyl]-4-propanoic acid, .alpha.-oxo-3-([1,1'-Biphenyl]-4-yl)-2-oxopropanoic acid4-biphenyl-pyruvic acid3-{[1,1'-BIPHENYL]-4-YL}-2-OXOPROPANOIC ACID3-(4-Biphenylyl)-2-oxopropanoic Acid4-biphenylyl-pyruvic acid4-Phenylphenylpyruvic AcidSCHEMBL7319428YLSFJNHIOYAOHZ-UHFFFAOYSA-NRDA85346MFCD09737957AKOS0001455802-oxo-3-(4-phenylphenyl)propanoicacidSY209648EN300-254748
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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