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3,5-Dihydroxy-4-methylbenzoic acid

CAT: 0013-GTR19184005-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184005-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule, 3,5-dihydroxy-4-methylbenzoic acid, acts as a weak alpha-glucosidase inhibitor (IC50 = 24 mg/L) . It is a useful research tool for in vitro enzymatic studies relevant to diabetes and carbohydrate metabolism research.
CAS Number
28026-96-2
Product Name Alternative
3,5Dihydroxy4methylbenzoic acid, 3,5-Dihydroxy-4-methylbenzoic acid, 3,5 Dihydroxy 4 methylbenzoic acid
Purity
99.64% (May vary between batches)
Smiles
Cc1c (O) cc (cc1O) C (O) =O
Molecular Formula
C8H8O4
Molecular Weight
168.15
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

3,5-Dihydroxy-4-methylbenzoic Acid
CAS Number28026-96-2
PubChem CID2748045
IUPAC Name3,5-dihydroxy-4-methylbenzoic acid
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP1.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
CC1=C(C=C(C=C1O)C(=O)O)O
InChI
InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
KMRRXSZDSGYLCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxy-4-methylbenzoic Acid
CAS: 28026-96-2
CID: 2748045
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area77.8 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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