HCID77609

Heptanoic acid, 7-oxo-, ethyl ester

ethyl 7-oxoheptanoate

C9H16O3172.22 g/molCAS 3990-05-4

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCCCCC=O
InChIKey: SQOMZPCAODNNSO-UHFFFAOYSA-N
分子式: C9H16O3
平均分子量: 172.22 g/mol
单同位素质量: 172.10994437

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 8
重原子: 12
形式电荷: 0
复杂度: 132

ALIASES

名称与别名

共 23 条

Ethyl 7-oxoheptanoate3990-05-4Heptanoic acid, 7-oxo-, ethyl esterXPE5TVP88YDTXSID40192953RefChem:1086450DTXCID80115444223-636-2MFCD071862586-Formylhexansaeure-ethylesterethyl7-oxoheptanoateethyl 6-formylhexanoateSCHEMBL362356orb3176918SCHEMBL2441236EINECS 223-636-2AKOS006286759AS-49776DA-19184SY244708

REACTIONS