10402-70-7 (4-氧代戊酸酯,4-oxopentanoate)

快速询单

结构式：

4-氧代戊酸酯MOL文件

CAS号：

10402-70-7

中文名称：

4-氧代戊酸酯

英文名称：

4-oxopentanoate

分子式：

C₅H₇O₃

分子量：

115.107281923294

4-氧代戊酸酯(10402-70-7)名称与标识符

名称

英文别名：

4-oxopentanoate;levulininate;

标识符

InChIKey：

JOOXCMJARBKPKM-UHFFFAOYSA-M

Inchi：

1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)/p-1

SMILES：

C([O-])(=O)CCC(=O)C

4-氧代戊酸酯(10402-70-7)物化性质

计算特性

精确分子量 : 115.039519081g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 115.039519081g/mol
重原子数量 : 8
复杂度 : 101
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.2
拓扑分子极性表面积 : 57.2Å²

4-氧代戊酸酯(10402-70-7)相关文献

1. Sulfur dioxide signaling molecule-responsive polymeric nanoparticles
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4. One-pot conversion of biomass-derived xylose and furfural into levulinate esters via acid catalysis
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7. Valorization of levulinic acid over non-noble metal catalysts: challenges and opportunities
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8. Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering
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9. Production of methyl levulinate from cellulose: selectivity and mechanism study
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10. Pore morphology-controlled preparation of ZrO2-based hybrid catalysts functionalized by both organosilica moieties and Keggin-type heteropoly acid for the synthesis of levulinate esters
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10402-70-7 (4-氧代戊酸酯,4-oxopentanoate)

4-氧代戊酸酯(10402-70-7)名称与标识符

名称

标识符

4-氧代戊酸酯(10402-70-7)物化性质

计算特性

4-氧代戊酸酯(10402-70-7)相关文献

目录