compound introduction
烟酸酯是一种有机分子实体。
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3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
CAS number：14929-11-4 molecular formula：C23H26Cl2O6
overview
Specs
| Chinese alias | - | ||
| English alias | Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 1,3-propanediyl ester (9CI); Propionicacid, 2-(p-chlorophenoxy)-2-methyl-, trimethylene ester (8CI); 1,3-Propanediol,bis[2-(p-chlorophenoxy)-2-methylpropionate] (8CI); 1,3-Propanebis(2-p-chlorophenoxy-2-methyl | ||
| CAS number | 14929-11-4 | molecular formula | C23H26Cl2O6 |
| molecular weight | 469.4 | Exact mass | - |
| PSA | 71.1 | logp | 6.2 |
numbering system
| CAS | 14929-11-4 |
| UNII | L2R75RQX26 |
| HMDB ID | HMDB0258298 |
| KEGG ID | D01212 |
| ChEBI ID | 32131 |
| Wikidata | Q4117078 |
| ChEMBL ID | CHEMBL2105435 |
| Wikipedia | Simfibrate |
| DrugBank ID | DB13433 |
| DrugCentral | 2444 |
| PubChem CID | 5217 |
| Nikkaji Number | J3.444D |
| NCI 词表代码 | C72998 |
| DSSTox Substance ID | DTXSID8057647 |
| Metabolomics Workbench ID | 154243 |
| European Community (EC) Number | 238-998-7 |
| PubChem Reference Collection SID | 505882270 |
| International Nonproprietary Names (INN) | SIMFIBRATE |
physicochemical properties
| XLogP3 | XLogP3-AA: 6.2 |
| 复杂性 | 529 |
| Exact Mass | 468.1106439 |
| 形式电荷 | 0 |
| 重原子计数 | 31 |
| Molecular Weight | 469.4 |
| Monoisotopic Mass | 468.1106439 |
| 可旋转键计数 | 12 |
| 氢键供体计数 | 0 |
| 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 | 71.1 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：仪器仪表制造业。
应用场景参考：适合对材料精细度、设备条件和应用环境要求较高的场景，通常需要结合工艺目标做进一步筛选 。
作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料 。
选型提示：精细化学品的稳定性不仅取决于材料本身，也与生产流程、仓储物流、追溯能力和管理水平密切相关 。
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upstream information
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downstream information
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MSDS
Found 0 shareMSDS
