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2',5'-Dihydroxyacetophenone

CAS No.:
490-78-8
Catalog Number:
AG00330E
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$24
- +
100g
98%
In Stock USA
United States
$72
- +
Product Description
Catalog Number:
AG00330E
Chemical Name:
2',5'-Dihydroxyacetophenone
CAS Number:
490-78-8
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD19159764
IUPAC Name:
1-(2,5-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChI Key:
WLDWSGZHNBANIO-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(=O)C)O
EC Number:
207-716-4
UNII:
K1H7QH11ZH
NSC Number:
3759
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Biphenylalkylacetylhydroquinone ethers suppress the proliferation of murine B16 melanoma cells. Anticancer research 20080101
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
[Studies on chemical constituents in root tuber of Cynanchum auriculatum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060501
Effects of 4,4-dimethyl-5,8-dihydroxynaphtalene-1-one and 4,4-dimethyl-5,8-dihydroxytetralone derivatives on tumor cell respiration. Bioorganic & medicinal chemistry 20020901
Steroid hormone activity of flavonoids and related compounds. Breast cancer research and treatment 20000701
Properties