4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one (CAS 72727-67-4) — formula C12H18O, molecular weight 178.27; category organic chemicals.
| CAS Number | 72727-67-4 |
|---|---|
| Molecular Formula | C12H18O |
| Molecular Weight | 178.27 |
| LogP | 3.1 |
| Category | Organic Chemicals |
4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one is a carbon-based organic compound with CAS registry number 72727-67-4 and molecular formula C12H18O (molecular weight 178.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72727-67-4
Its molecular formula C12H18O comprises 12 C, 18 H, 1 O atoms.
Also known as: 4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one · 4-双环[2.2.1]庚-2-基-3-甲基-3-丁烯-2-酮
Category: organic chemicals
The CAS registry number of 4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one is 72727-67-4.
Molecular formula C12H18O, molecular weight 178.27.
It is also registered under: 4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one, 4-双环[2.2.1]庚-2-基-3-甲基-3-丁烯-2-酮.
Category: Organic Chemicals.
Independent reference data for 4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one (CAS 72727-67-4), compiled from public chemistry databases.
| CAS 号 | 72727-67-4 |
|---|---|
| PubChem CID | 175131 |
| 分子式 | C12H18O |
| IUPAC 名称 | 4-(2-bicyclo[2.2.1]heptanyl)-3-methylbut-3-en-2-one |
| UNII（FDA） | NS00063616 |
| Molecular Weight | 178.27 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 178.135765193 |
| Monoisotopic Mass | 178.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
3-Buten-2-one, 4-bicyclo[2.2.1]hept-2-yl-3-methyl-; 72727-67-4; SCHEMBL32688585; DTXSID10888179; SVXXTRPQQQPJMI-UHFFFAOYSA-N; NS00063616; 4-(Bicyclo[2.2.1]heptan-2-yl)-3-methylbut-3-en-2-one
4-双环[2.2.1]庚-2-基-3-甲基-3-丁烯-2-酮 · CAS 72727-67-4 · C12H18O. UNII NS00063616.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.