chempirical

Sodium cinnamate

C9H7NaO2CAS 538-42-1170.14 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
538-42-1
SMILES
[O-]C(=O)C=Cc1ccccc1.[Na+]
InChIKey
GSZVVJCRKFJSRO-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);

Weigh it out

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

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

Similar compounds

Potassium cinnamate16089-48-879 % similar (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-753 % 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 Cinnamoyl chloride102-92-148 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook