CALCIUM LAURATE
General Information
| Mainterm | CALCIUM LAURATE |
| Doc Type | NUL |
| CAS Reg.No.(or other ID) | 4696-56-4 |
| Regnum |
172.863 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 9911040 |
| IUPAC Name | calcium;dodecanoate |
| InChI | InChI=1S/2C12H24O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2 |
| InChI Key | HIAAVKYLDRCDFQ-UHFFFAOYSA-L |
| Canonical SMILES | CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ca+2] |
| Molecular Formula | C24H46CaO4 |
| Wikipedia | calcium laurate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 438.706 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Complexity | 127.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 4 O A A A A A g 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 | 80.3 |
| Monoisotopic Mass | 438.302 |
| Exact Mass | 438.302 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| 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