CAS 117-12-4 | 9,10-Anthracenedione, 1,5-dihydroxy- | CAS Number 117-12-4

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117-12-4 | 9,10-Anthracenedione, 1,5-dihydroxy-

CAS No: 117-12-4 Catalog No: AG000DHU MDL No:MFCD00001210

Product Description

Catalog Number:

AG000DHU

Chemical Name:

9,10-Anthracenedione, 1,5-dihydroxy-

CAS Number:

117-12-4

Molecular Formula:

C14H8O4

Molecular Weight:

240.2109

MDL Number:

MFCD00001210

IUPAC Name:

1,5-dihydroxyanthracene-9,10-dione

InChI:

InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H

InChI Key:

JPICKYUTICNNNJ-UHFFFAOYSA-N

SMILES:

Oc1cccc2c1C(=O)c1cccc(c1C2=O)O

EC Number:

204-175-6

UNII:

KPB60W5S3M

Properties

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.214g/mol

Monoisotopic Mass:

240.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

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Synchrotron radiation linear dichroism (SRLD) investigation of the electronic transitions of quinizarin, chrysazin, and anthrarufin.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100915
Structure-activity relationships of anthraquinones on the suppression of DNA-binding activity of the aryl hydrocarbon receptor induced by 2,3,7,8-tetrachlorodibenzo-p-dioxin.	Journal of bioscience and bioengineering 20090301
Valence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n=+2, +1, 0, -1, -2).	Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
C-Aryl glycosides via tandem intramolecular benzyne-furan cycloadditions. Total synthesis of vineomycinone B2 methyl ester.	Journal of the American Chemical Society 20061025
Electrocoagulation of quinone pigments.	Molecules (Basel, Switzerland) 20060714
Interaction of anthracene and its oxidative derivatives with human serum albumin.	Acta biochimica Polonica 20060101
Six-coordinate titanium complexes of a tripodal aminetris(phenoxide) ligand: synthesis, structure, and dynamics.	Inorganic chemistry 20050418
The specificity of cross-reactivity: promiscuous antibody binding involves specific hydrogen bonds rather than nonspecific hydrophobic stickiness.	Protein science : a publication of the Protein Society 20031001
Synthesis of symmetrical 1,5-bisacyloxyanthraquinone derivatives and their dual activity of cytotoxicity and lipid peroxidation.	Archiv der Pharmazie 20021201
Phytoestrogens from the roots of Polygonum cuspidatum (Polygonaceae): structure-requirement of hydroxyanthraquinones for estrogenic activity.	Bioorganic & medicinal chemistry letters 20010723
Hydroxyquinones are competitive non-peptide inhibitors of HIV-1 proteinase.	Biochimica et biophysica acta 19951115
Evaluation of the antiviral activity of anthraquinones, anthrones and anthraquinone derivatives against human cytomegalovirus.	Antiviral research 19920101