2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid (CAS 62212-16-2) — formula C13H11NO4, molecular weight 245.23; category organic chemicals.
| CAS Number | 62212-16-2 |
|---|---|
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.23 |
| LogP | 1.1 |
| Category | Organic Chemicals |
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid is a carbon-based organic compound with CAS registry number 62212-16-2 and molecular formula C13H11NO4 (molecular weight 245.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62212-16-2
Its molecular formula C13H11NO4 comprises 13 C, 11 H, 1 N, 4 O atoms.
Also known as: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid · 2-(2,5-二氧代-2,5-二氢-1H-吡咯-1-基)-3-苯基丙酸
Category: organic chemicals
The CAS registry number of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid is 62212-16-2.
Molecular formula C13H11NO4, molecular weight 245.23.
It is also registered under: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid, 2-(2,5-二氧代-2,5-二氢-1H-吡咯-1-基)-3-苯基丙酸.
Category: Organic Chemicals.
Independent reference data for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid (CAS 62212-16-2), compiled from public chemistry databases.
| CAS 号 | 62212-16-2 |
|---|---|
| PubChem CID | 319938 |
| 分子式 | C13H11NO4 |
| IUPAC 名称 | 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid |
| UNII（FDA） | Z245319454 |
| Molecular Weight | 245.23 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 245.06880783 |
| Monoisotopic Mass | 245.06880783 |
| Topological Polar Surface Area | 74.7 |
| Heavy Atom Count | 18 |
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid; DTXSID301175807; RefChem:444423; DTXCID101607181; 2,5-Dihydro-2,5-dioxo-alpha-(phenylmethyl)-1H-pyrrole-1-acetic acid; 827-347-8; 62212-16-2; 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid; 55750-54-4; MLS003107261; NSC266058; N-maleoylphenylalanine; SCHEMBL9326774; CHEMBL1735864; ZZOFFYJXNMLXEP-UHFFFAOYSA-N; MCA21216
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
2-(2,5-二氧代-2,5-二氢-1H-吡咯-1-基)-3-苯基丙酸 · CAS 62212-16-2 · C13H11NO4. UNII Z245319454.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.