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2-Hydroxy-4-methoxybenzoic acid

CAT: 0013-GTR19171259-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19171259-01Size:1 g
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Description
2-Hydroxy-4-methoxybenzoic acid is a microbial metabolite of 3- (2-hydroxy-4-methoxyphenyl) propanoic acid, formed via gut microbiota beta-oxidation. This compound is useful for researching microbial metabolism and as a standard in analytical studies of phenolic acid transformations in biological systems.
CAS Number
2237-36-7
Product Name Alternative
Inhibit, Inhibitor, 2 Hydroxy 4 methoxybenzoic acid, 2-Hydroxy-p-anisic Acid, 2Hydroxy4methoxybenzoic acid, 2-Hydroxy-4-methoxybenzoic acid, 4-Methoxysalicylic acid
Purity
99.86% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (11.89 mM) ; DMSO:65 mg/mL (386.56 mM) ; H2O:3 mg/mL (17.84 mM)
Smiles
COC1=CC (O) =C (C=C1) C (O) =O
Molecular Formula
C8H8O4
Molecular Weight
168.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methoxysalicylic Acid

2-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is benzoic acid substituted by hydroxy and methoxy groups at positions 2 and 4, respectively. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 2-hydroxy-4-methoxybenzoate.

CAS Number2237-36-7
PubChem CID75231
IUPAC Name2-hydroxy-4-methoxybenzoic acid
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
COC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey
MRIXVKKOHPQOFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxysalicylic Acid
CAS: 2237-36-7
CID: 75231
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP32
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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