HCID12524

Butanedial

C4H6O286.09 g/molCAS 638-37-9

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IDENTITY

结构与身份

标准SMILES: O=CCCC=O
InChIKey: PCSMJKASWLYICJ-UHFFFAOYSA-N
分子式: C4H6O2
平均分子量: 86.09 g/mol
单同位素质量: 86.03677943

COMPUTED

结构计算性质

已同步

XLogP: -0.9
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 6
形式电荷: 0
复杂度: 41

HAZARDS

危害信息

Regulatory Information

Chemical: Butanedial

Butanedial: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

REGULATORY

法规信息

Regulatory Information

Chemical: Butanedial

Butanedial: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

USES

用途与制造

General Manufacturing Information

Butanedial: INACTIVE

ALIASES

名称与别名

共 38 条

SUCCINALDEHYDEButanedial638-37-9SuccindialdehydeSuccinic aldehydeSuccinic dialdehyde1,4-butane dialdehydeNSC-11057DTXSID3021514RefChem:186326DTXCID001514211-333-805031775911,4-Butanedione1,4-ButanedialNDGA derivativeNSC 11057.beta.-Formylpropionaldehydebeta-Formylpropionaldehydediacetal

REACTIONS

相关反应

16 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242954B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242954B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242954B2

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

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

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06486323B1

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