HCID23732

2,4-Heptanedione

heptane-2,4-dione

C7H12O2128.17 g/molCAS 7307-02-0

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IDENTITY

结构与身份

标准SMILES: CCCC(=O)CC(C)=O
InChIKey: ILPNRWUGFSPGAA-UHFFFAOYSA-N
分子式: C7H12O2
平均分子量: 128.17 g/mol
单同位素质量: 128.08372962

COMPUTED

结构计算性质

等待补全

XLogP: 0.6
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: 9
形式电荷: 0
复杂度: 116

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 26 条

Heptane-2,4-dione2,4-HeptanedioneButanoylacetoneButyrylacetoneUNII-EU0GSN19XAEU0GSN19XAEINECS 230-759-5AI3-19255DTXSID70223340RefChem:82617DTXCID70145831ILPNRWUGFSPGAA-UHFFFAOYSA-N7307-02-0MFCD00048722ethylpentane-2,4-dioneSCHEMBL84408SCHEMBL8507918SCHEMBL8507919SCHEMBL27322155AKOS004115495

REACTIONS

参与反应

8 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536179B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09446041B2

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355663B1

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09114141B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242962B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975291B2

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09402836B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08765792B2

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