HCID11096234

Phenylbenzylglyoxal

1,3-diphenylpropane-1,2-dione

C15H12O2224.25 g/molCAS 23464-17-7

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IDENTITY

结构与身份

标准SMILES: O=C(Cc1ccccc1)C(=O)c1ccccc1
InChIKey: NUDGQVHENFOCFX-UHFFFAOYSA-N
分子式: C15H12O2
平均分子量: 224.25 g/mol
单同位素质量: 224.08372962

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 271

ALIASES

名称与别名

共 10 条

PHENYLBENZYLGLYOXAL1,3-diphenylpropane-1,2-dione23464-17-71,3-diphenyl-1,2-propanedionePhenyl-benzyl-glyoxal1,3-DiphenylpropanedioneSCHEMBL340540DTXSID10455082NUDGQVHENFOCFX-UHFFFAOYSA-NAKOS020844592

REACTIONS

参与反应

9 条

uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04038289

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04018884

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uspto-grants-1977_08 · 10.6084/m9.figshare.5104873.v1 · US04045487

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uspto-grants-1976_07 · 10.6084/m9.figshare.5104873.v1 · US03969373

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uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07816020B2

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uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07816020B2

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

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uspto-grants-1980_12 · 10.6084/m9.figshare.5104873.v1 · US04238589

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