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Sodium ferulate

CAT: 0926-FS29065-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FS29065-03Size:25 g
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CAS Number
24276-84-4
Synonyms
Sodium 4-hydroxy-3-methoxycinnamate;3- (4-Hydroxy-3-methoxyphenyl) -2-propenoic acid monosodium salt
MDL Number
MFCD00075727
Smiles
COC1=C (C=CC (=C1) /C=C/C (=O) [O-]) O.[Na+]
Molecular Formula
C10H9NaO4
Molecular Weight
216.17 g/mol
Controlled
No

Chemical Information

Sodium Ferulate

Sodium ferulate is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ferulic acid by a sodium ion. It has a role as an antioxidant, a MALDI matrix material, an anti-inflammatory agent, an apoptosis inhibitor, a plant metabolite and a cardioprotective agent. It contains a trans-ferulate.

CAS Number24276-84-4
PubChem CID23669636
IUPAC Namesodium (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC10H9NaO4
Molecular Weight216.17
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity229
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O.[Na+]
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);/q;+1/p-1/b5-3+;
InChIKey
NCTHNHPAQAVBEB-WGCWOXMQSA-M
Chemical Structure
2D Structure
2D structure of Sodium Ferulate
CAS: 24276-84-4
CID: 23669636
Formula: C10H9NaO4
MW: 216.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.17
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass216.03985305
Monoisotopic Mass216.03985305
Topological Polar Surface Area69.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HFA33597-01Benzyl ferulate
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CatalogName
289289-01Sodium ferulate
HY-W749362Campesteryl ferulate
HY-W706470-01(-) -Bornyl ferulate
TN2330-01Phenethyl ferulate
HY-N9092-01Geranyl ferulate
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MBS5801755Bornyl ferulate
MBS576918Ethyl ferulate
GTR19266450-01Isopropyl ferulate

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