Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester (CAS 40641-47-2) — formula C12H11NO5, molecular weight 249.22; category organic chemicals.
| CAS Number | 40641-47-2 |
|---|---|
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.22 |
| LogP | 1.9 |
| Category | Organic Chemicals |
Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester is a carbon-based organic compound with CAS registry number 40641-47-2 and molecular formula C12H11NO5 (molecular weight 249.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40641-47-2
Its molecular formula C12H11NO5 comprises 12 C, 11 H, 1 N, 5 O atoms.
Also known as: Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester · 丁酸，2-[(4-硝基苯基)亚甲基]-3-氧代-甲酯
Category: organic chemicals
The CAS registry number of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester is 40641-47-2.
Molecular formula C12H11NO5, molecular weight 249.22.
It is also registered under: Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester, 丁酸，2-[(4-硝基苯基)亚甲基]-3-氧代-甲酯.
Category: Organic Chemicals.
Independent reference data for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, methyl ester (CAS 40641-47-2), compiled from public chemistry databases.
| CAS 号 | 40641-47-2 |
|---|---|
| PubChem CID | 53677993 |
| 分子式 | C12H11NO5 |
| IUPAC 名称 | methyl 2-[(4-nitrophenyl)methylidene]-3-oxobutanoate |
| Molecular Weight | 249.22 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.06372245 |
| Monoisotopic Mass | 249.06372245 |
| Topological Polar Surface Area | 89.2 |
| Heavy Atom Count | 18 |
40641-47-2; Nitrendipine Impurity 16; Nicardipine Impurity 80; methyl 2-{(4-nitrophenyl)methylene}-3-oxobutyrate; SCHEMBL6198295; BEOJAFGZPXTLGC-UHFFFAOYSA-N; methyl 2-(4-nitrobenzylidene)-3-oxobutanoate; methyl 2-{(4-nitrophen-yl)methylene}-3-oxobutyrate; 2-[(4-nitrophenyl)methylene]-3-oxobutanoic acid, methyl ester
丁酸，2-[(4-硝基苯基)亚甲基]-3-氧代-甲酯 · CAS 40641-47-2 · C12H11NO5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.