ALUMINUM CAPRATE
General Information
| Mainterm | ALUMINUM CAPRATE |
| Doc Type | NUL |
| CAS Reg.No.(or other ID) | 22620-93-5 |
| Regnum |
175.300 172.863 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 19710439 |
| IUPAC Name | aluminum;decanoate |
| InChI | InChI=1S/3C10H20O2.Al/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3 |
| InChI Key | ISGZBAMXNZISAX-UHFFFAOYSA-K |
| Canonical SMILES | CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Al+3] |
| Molecular Formula | C30H57AlO6 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 540.762 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 21 |
| Complexity | 105.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 4 O A A A A B 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 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 | 120.0 |
| Monoisotopic Mass | 540.397 |
| Exact Mass | 540.397 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| 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 | 4 |
From Pubchem