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Home > Other Heterocycles > 88624-12-8
88624-12-8 | Bicyclo[2.1.0]pent-1-ene
CAS No: 88624-12-8 Catalog No: AG004ALF MDL No:
Product Description
Catalog Number:
AG004ALF
Chemical Name:
Bicyclo[2.1.0]pent-1-ene
CAS Number:
88624-12-8
Molecular Formula:
C5H6
Molecular Weight:
66.1011
IUPAC Name:
bicyclo[2.1.0]pent-1-ene
InChI:
InChI=1S/C5H6/c1-2-5-3-4(1)5/h1,5H,2-3H2
InChI Key:
ONHWEKNXUWQYQP-UHFFFAOYSA-N
SMILES:
C1=C2C(C1)C2
Properties
Complexity:
90.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
66.047g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
66.103g/mol
Monoisotopic Mass:
66.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Interplay of orbital symmetry and nonstatistical dynamics in the thermal rearrangements of bicyclo[n.1.0]polyenes. | Journal of the American Chemical Society 20020130 |
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