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4-Hydroxybenzoic acid

CAT: 0931-T2989-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T2989-03Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99-96-7
Target
Endogenous Metabolite, Antibacterial
Related Pathways
Microbiology/Virology, Metabolism
Purity
0.9986
Bioactivity
4-Hydroxybenzoic acid (4-hydroxybenzoate) is a monohydroxybenzoic acid, a phenolic derivative of benzoic acid. It is a white crystalline solid that is slightly soluble in water and chloroform but more soluble in polar organic solvents such as alcohols. It could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL.
Smiles
OC(=O)C1=CC=C(O)C=C1
Molecular Formula
C7H6O3
Molecular Weight
138.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxybenzoic Acid

4-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. It has a role as a plant metabolite and an algal metabolite. It is a conjugate acid of a 4-hydroxybenzoate.

CAS Number99-96-7
PubChem CID135
IUPAC Name4-hydroxybenzoic acid
Molecular FormulaC7H6O3
Molecular Weight138.12
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity125
SMILES
C1=CC(=CC=C1C(=O)O)O
InChI
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
FJKROLUGYXJWQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxybenzoic Acid
CAS: 99-96-7
CID: 135
Formula: C7H6O3
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP31.6
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
Complexity125
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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Alternative Products

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HY-Y0264S2-014-Hydroxybenzoic acid-13c
HY-Y0264S1-014-Hydroxybenzoic acid-d4
HY-Y0264R-014-Hydroxybenzoic acid (Standard)
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