Potassium phenylacetate

C8H7KO2CAS 13005-36-2174.24 g/mol

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Carboxylic acid

Properties

Molecular formula
C8H7KO2
Molar mass
174.24 g/mol
Exact mass
174.0083 Da
logP
0.93Crippen 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
13005-36-2
SMILES
[O-]C(=O)Cc1ccccc1.[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

3 names
  • Benzeneacetic acid, potassium salt (1:1)
  • Acetic acid, phenyl-, potassium salt
  • Benzeneacetic acid, potassium salt

Work with Potassium phenylacetate

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.

Phenylacetic acid103-82-2Free acid Sodium phenylacetate114-70-5Salt

Similar compounds

Potassium N-phenylglycinate19525-59-858 % similar Potassium α-naphthaleneacetate15165-79-458 % similar Sodium phenylbutyrate1716-12-755 % similar Dibenzyl ketone102-04-554 % similar 2-Phenylacetophenone451-40-154 % similar 3-Indolylacetic acid potassium salt2338-19-453 % similar Sodium phenylpyruvate114-76-148 % similar Phenylpyroracemic acid calcium salt51828-93-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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