Potassium ferrocyanide
Relevant Data
Food Additives Approved by WHO:
General Information
| Chemical name | Potassium ferrocyanide |
| E No. | E 536 |
| INS. | 536 |
| CAS number | 3943-58-3 |
| Group | No |
| Component of the group |
Ferrocyanides (E 535 - 538) |
From webgate.ec.europa.eu
Authorisation of the use of this additive in Food Additives
The additive is authorised to be used in the following category(ies):
| category(ies) | Individual restriction(s)/exception(s) | footnote |
|---|---|---|
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From webgate.ec.europa.eu
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23678371 |
| IUPAC Name | potassium;3-carboxy-3,5-dihydroxy-5-oxopentanoate |
| InChI | InChI=1S/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1 |
| InChI Key | WKZJASQVARUVAW-UHFFFAOYSA-M |
| Canonical SMILES | C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[K+] |
| Molecular Formula | C6H7O7K |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 230.213 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Complexity | 251.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y B g O A A A Q 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 A G g A A C A A A D E S A g A A A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B A B Y A A A A A Q A A F I A A B A A D L J g A K 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 | 135.0 |
| Monoisotopic Mass | 229.983 |
| Exact Mass | 229.983 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
From ClassyFire