compound introduction
曲布丁酮是一种有机分子实体。
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
CAS number：41826-92-0 molecular formula：C16H22O6
overview
Specs
| Chinese alias | - | ||
| English alias | 3-(2,4,5-Triethoxybenzoyl)propionic acid; 4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid | ||
| CAS number | 41826-92-0 | molecular formula | C16H22O6 |
| molecular weight | 310.34 | Exact mass | - |
| PSA | 82.1 | logp | 2.1 |
numbering system
| CAS | 41826-92-0 |
| UNII | H1187LU49Q |
| KEGG ID | D01365 |
| ChEBI ID | 32255 |
| Wikidata | Q7838676 |
| ChEMBL ID | CHEMBL1725880 |
| DrugBank ID | DB13311 |
| DrugCentral | 2719 |
| PubChem CID | 5536 |
| Nikkaji Number | J3.507F |
| NCI 词表代码 | C66623 |
| DSSTox Substance ID | DTXSID6046634 |
| Metabolomics Workbench ID | 154129 |
| PubChem Reference Collection SID | 516579209 |
| International Nonproprietary Names (INN) | TREPIBUTONE |
physicochemical properties
| XLogP3 | XLogP3-AA: 2.1 |
| 复杂性 | 357 |
| Exact Mass | 310.14163842 |
| 形式电荷 | 0 |
| 重原子计数 | 22 |
| Molecular Weight | 310.34 |
| Monoisotopic Mass | 310.14163842 |
| 可旋转键计数 | 10 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 6 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 82.1 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
No safety information yet
Production methods and uses
purpose
工业应用参考：
工业分类参考：水的生产和供应业。
应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
