3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI) (CAS 21794-58-1) — formula C6H7N3O, molecular weight 137.14; category organic chemicals.
| CAS Number | 21794-58-1 |
|---|---|
| Molecular Formula | C6H7N3O |
| Molecular Weight | 137.14 |
| LogP | -0.1 |
| Category | Organic Chemicals |
3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI) is a carbon-based organic compound with CAS registry number 21794-58-1 and molecular formula C6H7N3O (molecular weight 137.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21794-58-1
Its molecular formula C6H7N3O comprises 6 C, 7 H, 3 N, 1 O atoms.
Also known as: 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI) · 3-丁烯-2-酮, 4-(1H-1,2,4-三唑-1-基)-(8CI,9CI)
Category: organic chemicals
The CAS registry number of 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI) is 21794-58-1.
Molecular formula C6H7N3O, molecular weight 137.14.
It is also registered under: 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI), 3-丁烯-2-酮, 4-(1H-1,2,4-三唑-1-基)-(8CI,9CI).
Category: Organic Chemicals.
Independent reference data for 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)- (8CI,9CI) (CAS 21794-58-1), compiled from public chemistry databases.
| CAS 号 | 21794-58-1 |
|---|---|
| PubChem CID | 71436094 |
| 分子式 | C6H7N3O |
| IUPAC 名称 | 4-(1,2,4-triazol-1-yl)but-3-en-2-one |
| Molecular Weight | 137.14 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 137.058911855 |
| Monoisotopic Mass | 137.058911855 |
| Topological Polar Surface Area | 47.8 |
| Heavy Atom Count | 10 |
21794-58-1; DTXSID201279212; DB-271515; 4-(1H-1,2,4-Triazol-1-yl)-3-buten-2-one; 4-(1H-1,2,4-Triazol-1-yl)but-3-en-2-one; 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)-
3-丁烯-2-酮, 4-(1H-1,2,4-三唑-1-基)-(8CI,9CI) · CAS 21794-58-1 · C6H7N3O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.