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191-26-4 | Dibenzo[def,mno]chrysene
CAS No: 191-26-4 Catalog No: AG002EZN MDL No:
Product Description
Catalog Number:
AG002EZN
Chemical Name:
Dibenzo[def,mno]chrysene
CAS Number:
191-26-4
Molecular Formula:
C22H12
Molecular Weight:
276.3307
IUPAC Name:
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
InChI:
InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H
InChI Key:
YFIJJNAKSZUOLT-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1
EC Number:
205-884-3
UNII:
L65OZG189H
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.338g/mol
Monoisotopic Mass:
276.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| On the aromatic stabilization of benzenoid hydrocarbons. | Chemical communications (Cambridge, England) 20121018 |
| Effect of fluorine substitution on the aromaticity of polycyclic hydrocarbons. | The journal of physical chemistry. A 20121018 |
| An in silico approach for evaluating a fraction-based, risk assessment method for total petroleum hydrocarbon mixtures. | Journal of toxicology 20120101 |
| Desorption of polycyclic aromatic hydrocarbons from soot surface: five- and six-ring (C22, C24) PAHs. | The journal of physical chemistry. A 20100318 |
| Multichannel capillary electrophoresis microdevice and instrumentation for in situ planetary analysis of organic molecules and biomarkers. | Analytical chemistry 20100315 |
| Photon counting statistics of single molecule in solid matrix. | The Journal of chemical physics 20090628 |
| H-atom position as pattern-determining factor in arenethiol films. | Journal of the American Chemical Society 20090422 |
| Repair of DNA damage induced by anthanthrene, a polycyclic aromatic hydrocarbon (PAH) without bay or fjord regions. | Chemico-biological interactions 20090212 |
| Polycyclic aromatic hydrocarbon analysis with the Mars organic analyzer microchip capillary electrophoresis system. | Analytical chemistry 20090115 |
| Unexpected DNA damage caused by polycyclic aromatic hydrocarbons under standard laboratory conditions. | Mutation research 20080227 |
| Single-laboratory validation of a GC/MS method for the determination of 27 polycyclic aromatic hydrocarbons (PAHs) in oils and fats. | Food additives and contaminants 20070601 |
| Design, synthesis, and crystallographic studies of neutral platinum-based macrocycles formed via self-assembly. | Journal of the American Chemical Society 20040303 |
| Gas chromatographic-mass spectrometric study of the oil fractions produced by microwave-assisted pyrolysis of different sewage sludges. | Journal of chromatography. A 20030919 |
| Microsomal activation of dibenzo[def,mno]chrysene (anthanthrene), a hexacyclic aromatic hydrocarbon without a bay-region, to mutagenic metabolites. | Chemical research in toxicology 20020301 |
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