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Home > Other Heterocycles > 83953-54-2
83953-54-2 | 2-Azabicyclo[2.2.1]hepta-2,5-diene
CAS No: 83953-54-2 Catalog No: AG004UNO MDL No:
Product Description
Catalog Number:
AG004UNO
Chemical Name:
2-Azabicyclo[2.2.1]hepta-2,5-diene
CAS Number:
83953-54-2
Molecular Formula:
C6H7N
Molecular Weight:
93.1265
IUPAC Name:
2-azabicyclo[2.2.1]hepta-2,5-diene
InChI:
InChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,4-6H,3H2
InChI Key:
BIXPJRFRJANWRK-UHFFFAOYSA-N
SMILES:
C1=CC2CC1N=C2
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
93.129g/mol
Monoisotopic Mass:
93.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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