2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester (CAS 52649-03-3) — formula C11H13NO2, molecular weight 191.23; category organic chemicals.
| CAS Number | 52649-03-3 |
|---|---|
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.23 |
| LogP | 2.3 |
| Category | Organic Chemicals |
2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester is a carbon-based organic compound with CAS registry number 52649-03-3 and molecular formula C11H13NO2 (molecular weight 191.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52649-03-3
Its molecular formula C11H13NO2 comprises 11 C, 13 H, 1 N, 2 O atoms.
Also known as: 2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester · 4-乙炔基-3,5-二甲基-1H-吡咯-2-羧酸乙酯
Category: organic chemicals
The CAS registry number of 2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester is 52649-03-3.
Molecular formula C11H13NO2, molecular weight 191.23.
It is also registered under: 2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester, 4-乙炔基-3,5-二甲基-1H-吡咯-2-羧酸乙酯.
Category: Organic Chemicals.
Independent reference data for 2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester (CAS 52649-03-3), compiled from public chemistry databases.
| CAS 号 | 52649-03-3 |
|---|---|
| PubChem CID | 822560 |
| 分子式 | C11H13NO2 |
| IUPAC 名称 | ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight | 191.23 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.094628657 |
| Monoisotopic Mass | 191.094628657 |
| Topological Polar Surface Area | 42.1 |
| Heavy Atom Count | 14 |
ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate; 52649-03-3; DTXSID20356374; RefChem:343966; DTXCID30307433; 1H-Pyrrole-2-carboxylic acid, 4-ethynyl-3,5-dimethyl-, ethyl ester; 2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester; STL523053; AKOS006275396; DB-313115; AG-205/36868038; AI-597/32228051; SR-01000515855; SR-01000515855-1
4-乙炔基-3,5-二甲基-1H-吡咯-2-羧酸乙酯 · CAS 52649-03-3 · C11H13NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.