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Home > Other Heterocycles > 23029-25-6
23029-25-6 | Bicyclo[3.2.0]hepta-1,3,6-triene
CAS No: 23029-25-6 Catalog No: AG002LWY MDL No:
Product Description
Catalog Number:
AG002LWY
Chemical Name:
Bicyclo[3.2.0]hepta-1,3,6-triene
CAS Number:
23029-25-6
Molecular Formula:
C7H6
Molecular Weight:
90.1225
IUPAC Name:
bicyclo[3.2.0]hepta-1,3,6-triene
InChI:
InChI=1S/C7H6/c1-2-6-4-5-7(6)3-1/h1-6H
InChI Key:
RQUZPPPZLYFOBW-UHFFFAOYSA-N
SMILES:
C1=CC2C(=C1)C=C2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.047g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.125g/mol
Monoisotopic Mass:
90.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A stable silicon congener of highly strained bicyclo[3.2.0]hepta-1,3,6-triene. | Journal of the American Chemical Society 20030806 |
| Thermal rearrangements of spiro[2.4]hepta-1,4,6-trienes. | The Journal of organic chemistry 20020628 |
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