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2,3-Dihydroxy-4-methoxyacetophenone

CAT: 0931-TN2703-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2703-02Size:100 mg
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CAS Number
708-53-2
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9938
Bioactivity
2,3-Dihydroxy-4-methoxyacetophenone (2',3'-Dihydroxy-4'-methoxyacetophenone) is a natural product, it improves cognitive function and may be helpful for the treatment of Alzheimer's disease.
Smiles
COc1ccc(C(C)=O)c(O)c1O
Molecular Formula
C9H10O4
Molecular Weight
182.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-Dihydroxy-4-Methoxyacetophenone

has neuroprotective activity; isolated from Cynenchum paniculatum; structure in first source

CAS Number708-53-2
PubChem CID12820
IUPAC Name1-(2,3-dihydroxy-4-methoxyphenyl)ethanone
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity192
SMILES
CC(=O)C1=C(C(=C(C=C1)OC)O)O
InChI
InChI=1S/C9H10O4/c1-5(10)6-3-4-7(13-2)9(12)8(6)11/h3-4,11-12H,1-2H3
InChIKey
VCONERRCKOKCHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxy-4-Methoxyacetophenone
CAS: 708-53-2
CID: 12820
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity192
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