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1785-51-9

1785-51-9 | 1,6-Pyrenedione

CAS No: 1785-51-9 Catalog No: AG00264A MDL No:

Product Description

Catalog Number:
AG00264A
Chemical Name:
1,6-Pyrenedione
CAS Number:
1785-51-9
Molecular Formula:
C16H8O2
Molecular Weight:
232.2335
IUPAC Name:
pyrene-1,6-dione
InChI:
InChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
InChI Key:
YFPSDOXLHBDCOR-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1
EC Number:
217-238-8
UNII:
EU5GO38I7H
NSC Number:
142616

Properties

Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.238g/mol
Monoisotopic Mass:
232.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Photodegradation mechanisms of 1-nitropyrene, an environmental pollutant: the effect of organic solvents, water, oxygen, phenols, and polycyclic aromatics on the destruction and product yields. The journal of physical chemistry. A 20120412
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
One- and two-photon photosensitized singlet oxygen production: characterization of aromatic ketones as sensitizer standards. The journal of physical chemistry. A 20070705
Comparison of the urinary excretion time courses of pyrene-1,6-dione, pyrene-1,8-dione and 1-hydroxypyrene in rats intravenously exposed to pyrene. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20060101
Development of a high-performance liquid chromatographic method for the simultaneous determination of pyrene-1,6- and 1,8-dione in animal and human urine. Journal of analytical toxicology 20050901
1-Methoxypyrene and 1,6-dimethoxypyrene: two novel metabolites in fungal metabolism of polycyclic aromatic hydrocarbons. Archives of microbiology 19970501

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