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3,5-Dihydroxyacetophenone

CAT: 0804-HY-W034065-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W034065-03Size:25 g
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Description
3,5-Dihydroxyacetophenone is a drug intermediate that can be used in the synthesis of the active stilbene dimer dehydro-δ-viniferin[1].
CAS Number
51863-60-6
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-5-dihydroxyacetophenone.html
Purity
99.96
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC(C1=CC(O)=CC(O)=C1)=O
Molecular Formula
C8H8O3
Molecular Weight
152.15
Precautions
H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

3',5'-Dihydroxyacetophenone

3',5'-Dihydroxyacetophenone is an aromatic ketone.

CAS Number51863-60-6
PubChem CID103993
IUPAC Name1-(3,5-dihydroxyphenyl)ethanone
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity145
SMILES
CC(=O)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
InChIKey
WQXWIKCZNIGMAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',5'-Dihydroxyacetophenone
CAS: 51863-60-6
CID: 103993
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
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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