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250-25-9 | Pentalene
CAS No: 250-25-9 Catalog No: AG002Q5E MDL No:
Product Description
Catalog Number:
AG002Q5E
Chemical Name:
Pentalene
CAS Number:
250-25-9
Molecular Formula:
C8H6
Molecular Weight:
102.1332
IUPAC Name:
pentalene
InChI:
InChI=1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H
InChI Key:
GUVXZFRDPCKWEM-UHFFFAOYSA-N
SMILES:
C1=CC2=CC=CC2=C1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.136g/mol
Monoisotopic Mass:
102.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses. | Journal of analytical methods in chemistry 20120101 |
| Cascade pericyclic reactions of alleno-acetylenes: facile access to highly substituted cyclobutene, dendralene, pentalene, and indene skeletons. | Chemistry (Weinheim an der Bergstrasse, Germany) 20111111 |
| Synthesis of a pentalene centered polycyclic fused system. | Organic letters 20110318 |
| Generation of Kekulé valence structures and the corresponding valence bond wave function. | Journal of computational chemistry 20110301 |
| Dinaphthopentalenes: pentalene derivatives for organic thin-film transistors. | Angewandte Chemie (International ed. in English) 20101011 |
| Synthesis and electronic properties of extended, fused-ring aromatic systems containing multiple pentalene units. | Journal of the American Chemical Society 20100818 |
| Toward the synthetic control of the HOMO-LUMO gap in binuclear systems: insights from density functional calculations. | Inorganic chemistry 20100503 |
| Large metal ions in a relatively small fullerene cage: the structure of Gd3N@C2(22010)-C78 departs from the isolated pentagon rule. | Journal of the American Chemical Society 20090819 |
| Versatile synthesis of pentalene derivatives via the Pd-catalyzed homocoupling of haloenynes. | Journal of the American Chemical Society 20090304 |
| Synthesis and biological properties of cylindramide derivatives: evidence for calcium-dependent cytotoxicity of tetramic acid lactams. | Chembiochem : a European journal of chemical biology 20081013 |
| Preparation and thermal studies on tetranitrodibenzo tetraazapentalene (TACOT): a thermally stable high explosive. | Journal of hazardous materials 20070508 |
| The hexamethylpentalene dianion and other reagents for organometallic pentalene chemistry. | Chemical communications (Cambridge, England) 20070421 |
| Stabilization of acepentalene by coordination to transition metals: a DFT investigation. | Inorganic chemistry 20070416 |
| Unexpected four- and eight-membered organo P-Se heterocycles. | Chemical communications (Cambridge, England) 20070414 |
| Mn2 bis(pentalene): a mixed-spin bimetallic with two extremes of bonding within the same molecule. | Chemical communications (Cambridge, England) 20070227 |
| Domino carbocationic rearrangement of alpha-[bis(methylthio)methylene]alkyl-2-(3/2-indolyl) cyclopropyl ketones. | The Journal of organic chemistry 20070216 |
| Calculation of electron affinities of polycyclic aromatic hydrocarbons and solvation energies of their radical anion. | The journal of physical chemistry. A 20061130 |
| Ab initio and RRKM study of photodissociation of azulene cation. | Physical chemistry chemical physics : PCCP 20060328 |
| Total synthesis and NMR investigations of cylindramide. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060308 |
| The versatility of pentalene coordination to transition metals: a density functional theory investigation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060220 |
| From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures. | Chemphyschem : a European journal of chemical physics and physical chemistry 20060116 |
| Photodissociation of azulene at 193 nm: ab initio and RRKM study. | The journal of physical chemistry. A 20051006 |
| 13C NMR pattern of Sc3N@C68. Structural assignment of the first fullerene with adjacent pentagons. | The journal of physical chemistry. A 20050818 |
| Dicyclobuta[de,ij]naphthalene and dicyclopenta[cd,gh]pentalene: a theoretical study. | The Journal of organic chemistry 20041112 |
| A novel coordination mode for pentalene in trinuclear chromium complexes. | Inorganic chemistry 20031201 |
| Sc3N@C68: folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule. | Angewandte Chemie (International ed. in English) 20030224 |
| Pentalene complexes of group 7 metal carbonyls: an organometallic mixed-valence system with very large metal-metal electronic coupling. | Journal of the American Chemical Society 20021002 |
| Reversible binding and reduction of dinitrogen by a uranium(III) pentalene complex. | Journal of the American Chemical Society 20020814 |
| Intramolecular behaviors of anthryldicarbenic systems: dibenzo[b,f]pentalene and 1H,5H-dicyclobuta[de,kl]anthracene. | The Journal of organic chemistry 20011005 |
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