CAS 490-78-8 | 1-(2,5-Dihydroxyphenyl)ethanone | CAS Number 490-78-8

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490-78-8 | 1-(2,5-Dihydroxyphenyl)ethanone

CAS No: 490-78-8 Catalog No: AG00330E MDL No:MFCD00002343

Product Description

Catalog Number:

AG00330E

Chemical Name:

1-(2,5-Dihydroxyphenyl)ethanone

CAS Number:

490-78-8

Molecular Formula:

C8H8O3

Molecular Weight:

152.1473

MDL Number:

MFCD00002343

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.149g/mol

Monoisotopic Mass:

152.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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