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30830-20-7 | Bicyclo[2.2.0]hex-1(4)-ene
CAS No: 30830-20-7 Catalog No: AG0031G8 MDL No:
Product Description
Catalog Number:
AG0031G8
Chemical Name:
Bicyclo[2.2.0]hex-1(4)-ene
CAS Number:
30830-20-7
Molecular Formula:
C6H8
Molecular Weight:
80.1277
IUPAC Name:
bicyclo[2.2.0]hex-1(4)-ene
InChI:
InChI=1S/C6H8/c1-2-6-4-3-5(1)6/h1-4H2
InChI Key:
XIEBQIWVIRKPGE-UHFFFAOYSA-N
SMILES:
C1CC2=C1CC2
Properties
Complexity:
83.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Why does perfluorination render bicyclo[2.2.0]hex-1(4)-ene stable toward dimerization? Calculations provide the answers. | Journal of the American Chemical Society 20060913 |
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