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3,5-Dimethoxybenzoic acid (Standard)

CAT: 0804-HY-W001251RSize: 1 EachDry Ice: NoHazardous: No
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Description
3,5-Dimethoxybenzoic acid (Standard) is the analytical standard of 3,5-Dimethoxybenzoic acid. This product is intended for research and analytical applications. 3,5-Dimethoxybenzoic acid is an aromatic organic acid and antifungal agent. 3,5-Dimethoxybenzoic acid can also be used as an intermediate for anticancer agents. 3,5-Dimethoxybenzoic acid can be isolated from the leaves of Melia azedarach. 3,5-Dimethoxybenzoic acid exhibits antifungal activity against A. rabiei with an MIC of 0.125 mg/mL. 3,5-Dimethoxybenzoic acid has anti-wrinkle, anti-inflammatory, antioxidant, and skin regeneration effects[1][2].
CAS Number
1132-21-4
Target
Drug Intermediate; Fungal; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Cancer; Infection; Inflammation/Immunology
Smiles
O=C(O)C1=CC(OC)=CC(OC)=C1
Molecular Formula
C9H10O4
Molecular Weight
182.18
References & Citations
[1]Khajista Jabeen, et al. Antifungal Compounds From Melia Azedarach Leaves for Management of Ascochyta Rabiei, the Cause of Chickpea Blight. Nat Prod Res. 2011 Feb;25 (3) :264-76.|[2]Yan Z, et al. Physicochemical properties and biological activities of new berberine-based salts with syringic acid as well as 3, 5-dimethoxybenzoic acid as anions: Effect of temperature, concentration and anion. Journal of Molecular Liquids, 2024, 399: 124395.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3,5-Dimethoxybenzoic Acid

3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate.

CAS Number1132-21-4
PubChem CID14332
IUPAC Name3,5-dimethoxybenzoic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP2.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity168
SMILES
COC1=CC(=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey
IWPZKOJSYQZABD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxybenzoic Acid
CAS: 1132-21-4
CID: 14332
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count13
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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