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Home > Other Heterocycles > 926283-34-3
926283-34-3 | 4-Azaspiro[2.4]hepta-1,4,6-triene
CAS No: 926283-34-3 Catalog No: AG006FR3 MDL No:
Product Description
Catalog Number:
AG006FR3
Chemical Name:
4-Azaspiro[2.4]hepta-1,4,6-triene
CAS Number:
926283-34-3
Molecular Formula:
C6H5N
Molecular Weight:
91.1106
IUPAC Name:
4-azaspiro[2.4]hepta-1,4,6-triene
InChI:
InChI=1S/C6H5N/c1-2-6(3-4-6)7-5-1/h1-5H
InChI Key:
CJFQLDMTMOIVSE-UHFFFAOYSA-N
SMILES:
C1=CC2(N=C1)C=C2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
91.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
91.113g/mol
Monoisotopic Mass:
91.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Photochemical and thermal reactions of intermediates in the phenylnitrene rearrangement inside a hemicarcerand. | Journal of the American Chemical Society 20070207 |
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