Name: Name:1,3,5,7-CYCLOOCTATETRAENE
Brand: Angene
SKU: AG003DG2
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1,3,5,7-CYCLOOCTATETRAENE

CAS No.:

629-20-9

Catalog Number:

AG003DG2

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG003DG2

Chemical Name:

1,3,5,7-CYCLOOCTATETRAENE

CAS Number:

629-20-9

MDL Number:

MFCD00004161

IUPAC Name:

cyclooctatetraene

InChI:

InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-

InChI Key:

KDUIUFJBNGTBMD-DLMDZQPMSA-N

EC Number:

211-080-3

UNII:

AJ19R479CQ

NSC Number:

5093

UN Number:

2358

Properties

Complexity:

86.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

104.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

104.152g/mol

Monoisotopic Mass:

104.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Electronic states and metal-ligand bonding of gadolinium complexes of benzene and cyclooctatetraene.	The journal of physical chemistry. A 20120119
Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation.	Organic & biomolecular chemistry 20111007
The lowest singlet states of octatetraene revisited.	The Journal of chemical physics 20110514
Insights into the carbene-initiated aggregation of [Fe(cot)(2)].	Angewandte Chemie (International ed. in English) 20110103
High-pressure studies of 1,3,5,7-cyclooctatetraene: experiment and theory.	The journal of physical chemistry. A 20081113

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