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285-86-9 | Bicyclo[2.1.1]hexane
CAS No: 285-86-9 Catalog No: AG002VJG MDL No:
Product Description
Catalog Number:
AG002VJG
Chemical Name:
Bicyclo[2.1.1]hexane
CAS Number:
285-86-9
Molecular Formula:
C6H10
Molecular Weight:
82.1436
IUPAC Name:
bicyclo[2.1.1]hexane
InChI:
InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2
InChI Key:
JSMRMEYFZHIPJV-UHFFFAOYSA-N
SMILES:
C1CC2CC1C2
Properties
Complexity:
48.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.078g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.146g/mol
Monoisotopic Mass:
82.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Experimental and computational bridgehead C-H bond dissociation enthalpies. | The Journal of organic chemistry 20120217 |
| Antiaromaticity and reactivity of a planar cyclooctatetraene fully annelated with bicyclo[2.1.1]hexane units. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Interconversion of bicyclo[2.2.1]hept-2-yne and 5-bicyclo[2.1.1]hexylidenecarbene. | The Journal of organic chemistry 20060721 |
| Electrophilic additions to a 2-methylenebicyclo[2.1.1]hexane system: probing pi-face selectivity for electrostatic and orbital effects. | Organic letters 20020711 |
| Intramolecular photochemical dioxenone-alkene [2 + 2] cycloadditions as an approach to the bicyclo[2.1.1]hexane moiety of solanoeclepin A. | The Journal of organic chemistry 20010112 |
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