3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER (CAS 4687-37-0) — formula C13H16O5, molecular weight 252.26; category organic chemicals.
3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER is a carbon-based organic compound with CAS registry number 4687-37-0 and molecular formula C13H16O5 (molecular weight 252.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4687-37-0
Its molecular formula C13H16O5 comprises 13 C, 16 H, 5 O atoms.
Also known as: 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER · 3,4-二甲氧基苯甲酰乙酸乙酯
Category: organic chemicals
The CAS registry number of 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER is 4687-37-0.
Molecular formula C13H16O5, molecular weight 252.26.
It is also registered under: 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER, 3,4-二甲氧基苯甲酰乙酸乙酯.
Category: Organic Chemicals.
Public-database records for 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER (CAS 4687-37-0), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%) |
|---|
| CAS 号 | 4687-37-0 |
|---|---|
| PubChem CID | 2758465 |
| 分子式 | C13H16O5 |
| IUPAC 名称 | ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate |
Ethyl 3,4-dimethoxybenzoylacetate; RefChem:594562; 626-827-2; ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate; 4687-37-0; MFCD03424826; ethyl veratroylacetate; Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate; SCHEMBL2848397; DTXSID20374336; CS-W020068; Ethyl 3,4-dimethoxybenzoylacetate, 97%; DS-16407; SY103967; ethyl3-(3,4-d; ethyl 3-(3,4-dimethoxyphenyl)-3-oxo-propanoate
| 分子量 | 252.26 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 7 |
| 精确质量 | 252.09977361 |
| 单同位素质量 | 252.09977361 |
| 拓扑极性表面积 | 61.8 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
3,4-二甲氧基苯甲酰乙酸乙酯 · CAS 4687-37-0 · C13H16O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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