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Home Other Building Blocks 1-(Pyren-1-yl)ethanone

1-(Pyren-1-yl)ethanone

CAS No.:
3264-21-9
Catalog Number:
AG003DWS
Molecular Formula:
C18H12O
Molecular Weight:
244.2873
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Product Description
Catalog Number:
AG003DWS
Chemical Name:
1-(Pyren-1-yl)ethanone
CAS Number:
3264-21-9
Molecular Formula:
C18H12O
Molecular Weight:
244.2873
MDL Number:
MFCD00021663
IUPAC Name:
1-pyren-1-ylethanone
InChI:
InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
InChI Key:
KCIJNJVCFPSUBQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
UNII:
V74HO8A2YT
NSC Number:
62422
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.293g/mol
Monoisotopic Mass:
244.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20120701
Li⁺ selective podand-type fluoroionophore based on a diphenyl sulfoxide derivative bearing two pyrene groups. Molecules (Basel, Switzerland) 20110810
(2E,4E,6E)-3-Methyl-7-(pyren-1-yl)octa-2,4,6-trienoic acid. Acta crystallographica. Section E, Structure reports online 20091001
Aroylketene dithioacetal chemistry: facile synthesis of 4-aroyl-3-methylsulfanyl-2-tosylpyrroles from aroylketene dithioacetals and TosMIC. Beilstein journal of organic chemistry 20070101
Synthesis and properties of rhenium carbonyl complexes of alpha,alpha'-bis[(1-pyrenyl)pyrazol-1-yl]alkane ligands. Inorganic chemistry 20031117
Properties