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3-Hydroxybenzoic acid

CAT: 0013-GTR19168345-04Size: 5 gDry Ice: NoHazardous: No
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Description
This small molecule is a major gut microbial metabolite of dietary catechins. It serves as a chemical intermediate in producing plasticizers for adhesives, alkyd resins, and oil drilling muds. Research applications include studying its role as a microbial metabolite in models of host-microbiome interactions.
CAS Number
99-06-9
Product Name Alternative
3Hydroxybenzoic acid, 3-Hydroxybenzoic acid, 3 Hydroxybenzoic acid, 36320, inhibit, Endogenous Metabolite, EndogenousMetabolite, Inhibitor
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.44% (May vary between batches)
Solubility
DMSO:25 mg/mL (181 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (14.48 mM)
Smiles
OC (=O) C1=CC (O) =CC=C1
Molecular Formula
C7H6O3
Molecular Weight
138.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxybenzoic Acid

3-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. It has a role as a plant metabolite and a bacterial metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-hydroxybenzoate.

CAS Number99-06-9
PubChem CID7420
IUPAC Name3-hydroxybenzoic acid
Molecular FormulaC7H6O3
Molecular Weight138.12
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=CC(=CC(=C1)O)C(=O)O
InChI
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
IJFXRHURBJZNAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxybenzoic Acid
CAS: 99-06-9
CID: 7420
Formula: C7H6O3
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass138.031694049
Monoisotopic Mass138.031694049
Topological Polar Surface Area57.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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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