HCID119754

Dimethyl (hydroxymethylene)malonate

dimethyl 2-(hydroxymethylidene)propanedioate

C6H8O5160.12 g/molCAS 27931-91-5

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(=CO)C(=O)OC
InChIKey: JMHZOSZGGDSKNP-UHFFFAOYSA-N
分子式: C6H8O5
平均分子量: 160.12 g/mol
单同位素质量: 160.03717335

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 72.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 11
形式电荷: 0
复杂度: 175

ALIASES

名称与别名

共 13 条

Dimethyl (hydroxymethylene)malonate27931-91-5dimethyl 2-(hydroxymethylidene)propanedioateEINECS 248-735-8hydroxymethylenemalonic acid dimethyl esterJ2B5BDC7BJSCHEMBL10377692DTXSID00182214DA-34834Dimethyl (hydroxymethylidene)propanedioateNS000505371,3-Dimethyl 2-(hydroxymethylene)propanedioatePropanedioic acid, 2-(hydroxymethylene)-, 1,3-dimethyl ester

REACTIONS

参与反应

2 条

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

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uspto-grants-1987_05 · 10.6084/m9.figshare.5104873.v1 · US04665218

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