MYRISTIC ACID-CHROMIC CHLORIDE COMPLEX
General Information
| Mainterm | MYRISTIC ACID-CHROMIC CHLORIDE COMPLEX |
| CAS Reg.No.(or other ID) | 15659-56-0 |
| Regnum |
175.105 176.180 181.30 178.3290 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 161139 |
| IUPAC Name | chromium(3+);tetradecanoate;tetrachloride;hydroxide |
| InChI | InChI=1S/C14H28O2.4ClH.2Cr.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;;/h2-13H2,1H3,(H,15,16);4*1H;;;1H2/q;;;;;2*+3;/p-6 |
| InChI Key | XOUQGSCXARMGLI-UHFFFAOYSA-H |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)[O-].[OH-].[Cl-].[Cl-].[Cl-].[Cl-].[Cr+3].[Cr+3] |
| Molecular Formula | C14H28Cl4Cr2O3 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 490.167 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Complexity | 149.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w M A A H 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 A G g A A C 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 | 41.1 |
| Monoisotopic Mass | 487.96 |
| Exact Mass | 489.957 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| 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 | 8 |
From Pubchem