Sodium cinnamate

C9H7NaO2CAS 538-42-1170.14 g/mol

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O−ONa+
AlkeneCarboxylic acid

Properties

Molecular formula
C9H7NaO2
Molar mass
170.14 g/mol
Exact mass
170.0344 Da
logP
1.40Crippen 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
538-42-1
SMILES
[O-]C(=O)C=Cc1ccccc1.[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

6 names
  • 2-Propenoic acid, 3-phenyl-, sodium salt (1:1)
  • Cinnamic acid, sodium salt
  • 2-Propenoic acid, 3-phenyl-, sodium salt
  • Fortificar
  • 3-Phenylpropenoic acid sodium salt
  • Sodium β-phenylacrylate

Work with Sodium cinnamate

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.

Cinnamic acid140-10-3Free acid, defined stereoisomer Cinnamic acid621-82-9Free acid Potassium cinnamate16089-48-8Salt

Similar compounds

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-753 % similar Dibenzylideneacetone538-58-953 % similar Disodium fumarate17013-01-352 % similar Disodium maleate371-47-152 % similar trans-Chalcone614-47-150 % similar Chalcone94-41-750 % similar Ozagrel sodium130952-46-449 % similar Ozagrel sodium189224-26-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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