chempirical

Sodium ferulate

C10H9NaO4CAS 24276-84-4216.17 g/mol

Open in Covalent MOL file
OO−OHONa+
AlkeneCarboxylic acidEtherPhenol

Properties

Molecular formula
C10H9NaO4
Molar mass
216.17 g/mol
Exact mass
216.0399 Da
logP
1.12Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
24276-84-4
SMILES
COc1cc(C=CC([O-])=O)ccc1O.[Na+]
InChIKey
IGBQJDVZTNTMJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);

Weigh it out

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

Names and synonyms

5 names
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, sodium salt (1:1)
  • Cinnamic acid, 4-hydroxy-3-methoxy-, monosodium salt
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, monosodium salt
  • Ferulic acid, sodium salt
  • Sodium 3-methoxy-4-hydroxycinnamate

Work with Sodium ferulate

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

Dehydrozingerone1080-12-264 % similar Ferulic acid1135-24-664 % similar Ferulic acid537-98-464 % similar Methyl ferulate2309-07-163 % similar Curcumin458-37-763 % similar Ethyl ferulate4046-02-058 % similar Desmethoxycurcumin22608-11-357 % similar Isoeugenol97-54-156 % similar

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

Elsewhere

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