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2',5'-Dihydroxyacetophenone

CAT: 0607-C7132-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-C7132-100Size:100 mg
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CAS Number
490-78-8
Product Name Alternative
1-(2,5-dihydroxyphenyl)ethanone
Field of Research
MAPK ERK ERK
Purity
0.9996
Solubility
≥27.4 mg/mL in DMSO; ≥9.3 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
CC(C1=CC(O)=CC=C1O)=O
Molecular Formula
C8H8O3
Molecular Weight
152.15
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-Acetylhydroquinone

2',5'-Dihydroxyacetophenone is an aromatic ketone.

CAS Number490-78-8
PubChem CID10279
IUPAC Name1-(2,5-dihydroxyphenyl)ethanone
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKey
WLDWSGZHNBANIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylhydroquinone
CAS: 490-78-8
CID: 10279
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.7
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
Complexity155
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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