HCID12215

Dimethyl but-2-enedioate

C6H8O4144.12 g/molCAS 23055-10-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)C=CC(=O)OC
InChIKey: LDCRTTXIJACKKU-UHFFFAOYSA-N
分子式: C6H8O4
平均分子量: 144.12 g/mol
单同位素质量: 144.04225873

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 10
形式电荷: 0
复杂度: 141

HAZARDS

危害信息

Regulatory Information

Chemical: 2-Butenedioic acid, dimethyl ester

REGULATORY

法规信息

Regulatory Information

Chemical: 2-Butenedioic acid, dimethyl ester

PHARMACOLOGY

药理信息

ATC Code

L04AX07

ALIASES

名称与别名

共 20 条

dimethyl but-2-enedioate23055-10-92-Butenedioic acid, dimethyl esterDimethyl 2-butenedioates2586bis(methoxycarbonyl)etheneDMF (Dimethyl Fumarate)SCHEMBL41836CHEMBL3181998SCHEMBL18166836cis-Propenoic acid dimethyl esterLDCRTTXIJACKKU-UHFFFAOYSA-NHMS3656G20HMS3867L13YAA05798AKOS025243814NCGC00346639-01SY004957DB-054169NS00099751

REACTIONS

相关反应

10 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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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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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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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