ZINC DECANOATE
General Information
| Mainterm | ZINC DECANOATE |
| CAS Reg.No.(or other ID) | 13040-17-0 |
| Regnum |
175.300 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 159462 |
| IUPAC Name | zinc;decanoate |
| InChI | InChI=1S/2C10H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2 |
| InChI Key | NVKSAUAQUPYOPO-UHFFFAOYSA-L |
| Canonical SMILES | CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Zn+2] |
| Molecular Formula | C20H38O4Zn |
| Wikipedia | zinc decanoate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 407.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 14 |
| Complexity | 105.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 4 O A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 80.3 |
| Monoisotopic Mass | 406.206 |
| Exact Mass | 406.206 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem