Sodium Sorbate

Basic Info

FADB-China IDC0138
Substance NamePreservative
Substance Chinese Name防腐剂
Molecular NameSodium Sorbate
Molecular Chinese Name山梨酸钠
2D StructureNo image
CAS Number7757-81-5
PubChem CID23665582
FormulaC6H7NaO2
IUPAC NameSodium;(2E,4E)-hexa-2,4-dienoate
InChI KeyLROWVYNUWKVTCU-STWYSWDKSA-M
InChIInChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
Canonical SMILES

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

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].[Na+]

CFM-ID 3.0URL Link
Related linksTransportation, Processing, Circulation
Addition PurposesAntiseptic
Molecular Synonyms
        
            SODIUM SORBATE
        
            Sorbic Acid Sodium Salt
        
            7757-81-5
        
            UNII-TGW6Q2CCVM
        
            Sorbic acid, sodium salt
        
            CCRIS 5163
        
            HSDB 771
        
            Sodium (E,E)-hexa-2,4-dienoate
        
            TGW6Q2CCVM
        
            Sorban sodny [Czech]
        
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 10:05

Properties

Property NameProperty Value
Molecular Weight134.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity127
Monoisotopic Mass134.03437375
Exact Mass134.03437375
Formal Charge0
Heavy Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

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References

TitleDOI/PubMed/ISSN
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