Neocnidilide (CAS 4567-33-3) — formula C12H18O2, molecular weight 194.27; category organic chemicals.
| CAS Number | 4567-33-3 |
|---|---|
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.27 |
| LogP | 3.3 |
| Category | Organic Chemicals |
Neocnidilide is a carbon-based organic compound with CAS registry number 4567-33-3 and molecular formula C12H18O2 (molecular weight 194.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4567-33-3
Its molecular formula C12H18O2 comprises 12 C, 18 H, 2 O atoms.
Also known as: Neocnidilide · 新蛇床内酯
Category: organic chemicals
The CAS registry number of Neocnidilide is 4567-33-3.
Molecular formula C12H18O2, molecular weight 194.27.
It is also registered under: Neocnidilide, 新蛇床内酯.
Category: Organic Chemicals.
Independent reference data for Neocnidilide (CAS 4567-33-3), compiled from public chemistry databases.
| CAS 号 | 4567-33-3 |
|---|---|
| PubChem CID | 3083857 |
| 分子式 | C12H18O2 |
| IUPAC 名称 | (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one |
| UNII（FDA） | 9GXU758IFX |
| Molecular Weight | 194.27 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.130679813 |
| Monoisotopic Mass | 194.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
Neocnidilide; 4567-33-3; (3S,3aR)-(-)-Sedanolide; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one; 9GXU758IFX; DTXSID70196580; RefChem:165142; DTXCID10119071; 3-butyl-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-one; trans-Sedanolide; (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one; Neocindilide; Neocnidolide; (3S,3aR)-neocnidilide; UNII-9GXU758IFX; orb1684380
新蛇床内酯 · CAS 4567-33-3 · C12H18O2. UNII 9GXU758IFX.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 新蛇床内酯