POTASSIUM BICARBONATE
Relevant Data
Food Additives Approved by WHO:
Food Additives Approved by European Union:
General Information
| Mainterm | POTASSIUM BICARBONATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 298-14-6 |
| Regnum |
73.85 163.110 163.111 163.112 184.1613 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 516893 |
| IUPAC Name | potassium;hydrogen carbonate |
| InChI | InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1 |
| InChI Key | TYJJADVDDVDEDZ-UHFFFAOYSA-M |
| Canonical SMILES | C(=O)(O)[O-].[K+] |
| Molecular Formula | KHCO3 |
| Wikipedia | potassium bicarbonate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 100.114 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Complexity | 33.9 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A M 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 A g A A C A A A A A A A A A A A C A A A A g A I 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 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 = = |
| Topological Polar Surface Area | 60.4 |
| Monoisotopic Mass | 99.956 |
| Exact Mass | 99.956 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Organic carbonic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic carbonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group. |
From ClassyFire
Targets
From T3DB