CAS 2873-14-5 | 1,3,5,7,9,11,13-Cyclotetradecaheptaene | CAS Number 2873-14-5

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2873-14-5 | 1,3,5,7,9,11,13-Cyclotetradecaheptaene

CAS No: 2873-14-5 Catalog No: AG002WA5 MDL No:

Product Description

Catalog Number:

AG002WA5

Chemical Name:

1,3,5,7,9,11,13-Cyclotetradecaheptaene

CAS Number:

2873-14-5

Molecular Formula:

C14H14

Molecular Weight:

182.2610

IUPAC Name:

cyclotetradecaheptaene

InChI:

InChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H

InChI Key:

RYQWRHUSMUEYST-UHFFFAOYSA-N

SMILES:

c1ccccccccccccc1

Properties

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.266g/mol

Monoisotopic Mass:

182.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
[14]Annulene: cis/trans isomerization via two-twist and nondegenerate planar bond shifting and Möbius conformational minima.	Organic letters 20100305
Chiral aromaticities. AIM and ELF critical point and NICS magnetic analyses of Mobius-type aromaticity and homoaromaticity in lemniscular annulenes and hexaphyrins.	The Journal of organic chemistry 20080905
Configuration change in [14]annulene requires möbius antiaromatic bond shifting.	Journal of the American Chemical Society 20070117
A double-twist Möbius-aromatic conformation of [14]annulene.	Organic letters 20051013
An annulene-fused cyclopentadienide. A photochromic cyclopentadienodimethyldihydropyrene where the fused cyclopentadienide group resembles benzene in its effect on the dihydropyrene-metacyclophanediene valence isomerization.	The Journal of organic chemistry 20040123
Nonplanar aromatic compounds. 5. A atrategy for the synthesis of cis-10b,10c-dimethyl-10b,10c-dihydropyrenes. First crystal structure of a cis-10b,10c-dimethyl-10b,10c-dihydropyrene.	Journal of the American Chemical Society 20010523