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Home > Other Heterocycles > 7078-34-4
7078-34-4 | Bicyclo[4.1.1]octane(8CI,9CI)
CAS No: 7078-34-4 Catalog No: AG005G5S MDL No:
Product Description
Catalog Number:
AG005G5S
Chemical Name:
Bicyclo[4.1.1]octane(8CI,9CI)
CAS Number:
7078-34-4
Molecular Formula:
C8H14
Molecular Weight:
110.1968
IUPAC Name:
bicyclo[4.1.1]octane
InChI:
InChI=1S/C8H14/c1-2-4-8-5-7(3-1)6-8/h7-8H,1-6H2
InChI Key:
QVAUSBVLMVBCPN-UHFFFAOYSA-N
SMILES:
C1CCC2CC(C1)C2
Properties
Complexity:
66
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.11g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.2g/mol
Monoisotopic Mass:
110.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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