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Vanillic Acid

CAT: 0013-GTR19159079-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159079-02Size:500 mg
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Description
Vanillic acid is used as a condiment in food, which used in wine and vinegar. It is an intermediate in the production of vanillin from ferulic acid. (In Vitro) :Vanillic acid is non-toxic to HT22 cells at all three concentrations (50, 100 and 200 μM) ; Vanillic acid co-treatment with Aβ1-42 significantly increases (1.5-, 1.9- and 2-fold respectively) cell viability. (In Vivo) :Vanillic acid (3-30 mg/kg; i.p.; 5 hours) inhibits Carrageenan-induced mechanical hyperalgesia, paw edema, and neutrophil and macrophage recruitment.
CAS Number
121-34-6
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 100 mg/mL; 594.71 mM
Smiles
Oc1ccc (cc1OC) C (=O) O
Molecular Formula
C8H8O4
Molecular Weight
168.15
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Vanillic Acid

Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a vanillate.

CAS Number121-34-6
PubChem CID8468
IUPAC Name4-hydroxy-3-methoxybenzoic acid
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP1.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
COC1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vanillic Acid
CAS: 121-34-6
CID: 8468
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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