2,4-Hexadienoic acid, potassium salt (1:1)

C6H7KO2CAS 590-00-1150.22 g/mol

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AlkeneCarboxylic acid

Properties

Molecular formula
C6H7KO2
Molar mass
150.22 g/mol
Exact mass
150.0083 Da
Density
1.363 g/mL (at 25 °C)
Melting point
270 °C
logP
0.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
590-00-1
SMILES
CC=CC=CC([O-])=O.[K+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

1 names
  • 2,4-Hexadienoic acid, potassium salt

Work with 2,4-Hexadienoic acid, potassium salt (1:1)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sorbic acid110-44-1Free acid, defined stereoisomer Potassium sorbate24634-61-5Defined stereoisomer Sodium sorbate7757-81-5Salt, defined stereoisomer Calcium sorbate7492-55-9Salt, defined stereoisomer

Similar compounds

Potassium acrylate10192-85-543 % similar Potassium polyacrylate25608-12-243 % similar Iron(II) fumarate141-01-542 % similar Disodium fumarate17013-01-342 % similar Calcium fumarate19855-56-242 % similar Disodium maleate371-47-142 % similar Potassium cinnamate16089-48-841 % similar Methyl 2,4-hexadienoate1515-80-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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