Sodium phenoxyacetate

C8H7NaO3CAS 3598-16-1174.13 g/mol

Open in Covalent MOL file
O−OONa+
Carboxylic acidEther

Properties

Molecular formula
C8H7NaO3
Molar mass
174.13 g/mol
Exact mass
174.0293 Da
Melting point
216 °C
logP
0.77Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
3598-16-1
SMILES
[O-]C(=O)COc1ccccc1.[Na+]
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

2 names
  • Acetic acid, 2-phenoxy-, sodium salt (1:1)
  • Acetic acid, phenoxy-, sodium salt

Work with Sodium phenoxyacetate

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.

Phenoxyacetic acid122-59-8Free acid

Similar compounds

Sodium p-chlorophenoxyacetate13730-98-868 % similar Sodium phenylacetate114-70-556 % similar Sodium orthocarbamylphenoxyacetate3785-32-855 % similar 2-Phenoxy-1-phenylethanone721-04-055 % similar Phenoxyacetic anhydride14316-61-152 % similar Sodium phenylbutyrate1716-12-751 % similar 1-Phenoxy-2-propanone621-87-450 % similar 2-Phenoxyacetyl chloride701-99-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium methylparaben5026-62-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook