SODIUM ACETATE
Relevant Data
Food Additives Approved by WHO:
General Information
| Mainterm | SODIUM ACETATE |
| FEMA Number | 3024 |
| CAS Reg.No.(or other ID) | 127-09-3 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 517045 |
| IUPAC Name | sodium;acetate |
| InChI | InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 |
| InChI Key | VMHLLURERBWHNL-UHFFFAOYSA-M |
| Canonical SMILES | CC(=O)[O-].[Na+] |
| Molecular Formula | C2H3NaO2·nH2O (n = 0 or 3) |
| Wikipedia | sodium diacetate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 82.034 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 34.6 |
| CACTVS Substructure Key Fingerprint | A A A D c Q B A M 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 G g A A A A A A A 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 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 | 40.1 |
| Monoisotopic Mass | 82.003 |
| Exact Mass | 82.003 |
| 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 | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid salts |
| Direct Parent | Acetate salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetate salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component. |
From ClassyFire