Sodium diacetate

Basic Info

FADB-China IDC0121
Substance NamePreservative
Substance Chinese Name防腐剂
Molecular NameSodium diacetate
Molecular Chinese Name二乙酸钠
2D StructureNo image
CAS Number126-96-5
PubChem CID23662384
FormulaC4H7NaO4
IUPAC NameSodium;acetic acid;acetate
InChI KeyBHZOKUMUHVTPBX-UHFFFAOYSA-M
InChIInChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1
Canonical SMILES

CC(=O)O.CC(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)O.CC(=O)[O-].[Na+]

CFM-ID 3.0URL Link
Related linksTransportation, Processing, Circulation
Addition PurposesAntiseptic
Molecular Synonyms
        
            SODIUM DIACETATE
        
            126-96-5
        
            Dykon
        
            Acid acetate
        
            Acetic acid, sodium salt (2:1)
        
            Sodium acid acetate
        
            Sodium acetate, acid
        
            Sodium hydrogen acetate
        
            Sodium hydrogen diacetate
        
            Sodium acetate (1:2)
        
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 10:04

Properties

Property NameProperty Value
Molecular Weight142.09
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Complexity65.6
Monoisotopic Mass142.02420299
Exact Mass142.02420299
Formal Charge0
Heavy Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

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References

TitleDOI/PubMed/ISSN
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