chempirical

Sodium sorbate

C6H7NaO2CAS 7757-81-5134.11 g/mol

Open in Covalent MOL file
O−ONa+
AlkeneCarboxylic acid

Properties

Molecular formula
C6H7NaO2
Molar mass
134.11 g/mol
Exact mass
134.0344 Da
logP
0.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
7757-81-5
SMILES
C/C=C/C=C/C([O-])=O.[Na+]
InChIKey
MFLWRTCTNOMXBI-STWYSWDKSA-N
InChI
InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2,4-Hexadienoic acid, sodium salt (1:1), (2E,4E)-
  • Sorbic acid, sodium salt
  • 2,4-Hexadienoic acid, sodium salt, (E,E)-
  • 2,4-Hexadienoic acid, sodium salt, (2E,4E)-
  • Sodium α-trans-γ-trans-sorbate
  • Sodium (E,E)-2,4-hexadienoate
  • (E,E)-2,4-Hexadienoic acid sodium salt
  • E 201

Work with Sodium sorbate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Potassium sorbate24634-61-576 % similar 2,4-Hexadienoic acid, potassium salt (1:1)590-00-176 % similar Calcium sorbate7492-55-976 % similar Disodium fumarate17013-01-361 % similar Disodium maleate371-47-161 % similar Sodium fumarate5873-57-447 % similar Sodium fumarate7704-73-647 % similar Sodium acrylate7446-81-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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