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Home > Other Heterocycles > 19074-26-1

19074-26-1

19074-26-1 | Bicyclo[2.2.2]octane, 1-methyl-

CAS No: 19074-26-1 Catalog No: AG002ERZ MDL No:

Product Description

Catalog Number:
AG002ERZ
Chemical Name:
Bicyclo[2.2.2]octane, 1-methyl-
CAS Number:
19074-26-1
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
1-methylbicyclo[2.2.2]octane
InChI:
InChI=1S/C9H16/c1-9-5-2-8(3-6-9)4-7-9/h8H,2-7H2,1H3
InChI Key:
XYUZZMQIZKOZGX-UHFFFAOYSA-N
SMILES:
CC12CCC(CC1)CC2

Properties

Complexity:
93.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
The bicyclo[2.2.2]octyl carbene system as a probe for migratory aptitudes of hydrogen to carbenic centers. Journal of the American Chemical Society 20010227

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