4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 5442-91-1) — formula C10H13NO4, molecular weight 211.21; category organic chemicals.
| CAS Number | 5442-91-1 |
|---|---|
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.21 |
| LogP | 1.6 |
| Category | Organic Chemicals |
4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is a carbon-based organic compound with CAS registry number 5442-91-1 and molecular formula C10H13NO4 (molecular weight 211.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5442-91-1
Its molecular formula C10H13NO4 comprises 10 C, 13 H, 1 N, 4 O atoms.
Also known as: 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid · 4-乙氧羰基-3,5-二甲基吡咯-2-羧酸
Category: organic chemicals
The CAS registry number of 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is 5442-91-1.
Molecular formula C10H13NO4, molecular weight 211.21.
It is also registered under: 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 4-乙氧羰基-3,5-二甲基吡咯-2-羧酸.
Category: Organic Chemicals.
Independent reference data for 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 5442-91-1), compiled from public chemistry databases.
| CAS 号 | 5442-91-1 |
|---|---|
| PubChem CID | 224709 |
| 分子式 | C10H13NO4 |
| IUPAC 名称 | 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid |
| UNII（FDA） | HMS1557M13 |
| Molecular Weight | 211.21 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 211.08445790 |
| Monoisotopic Mass | 211.08445790 |
| Topological Polar Surface Area | 79.4 |
| Heavy Atom Count | 15 |
4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid; DTXSID70279620; RefChem:516050; DTXCID50230774; 818-778-2; 5442-91-1; 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester; 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid; MFCD00030408; Sunitinib Impurity 40; 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl ester; 4-(ethoxycarbonyl)-3,5-dimethylpyrrole-2-carboxylic acid; NSC13427; TimTec1_008373; MLS000055324; SCHEMBL2472447
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
4-乙氧羰基-3,5-二甲基吡咯-2-羧酸 · CAS 5442-91-1 · C10H13NO4. UNII HMS1557M13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-乙氧羰基-3,5-二甲基吡咯-2-羧酸