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Home > Other Heterocycles > 441798-60-3
441798-60-3 | 3-AZABICYCLO[4.1.0]HEPTA-1,3,5-TRIENE
CAS No: 441798-60-3 Catalog No: AG00729P MDL No:
Product Description
Catalog Number:
AG00729P
Chemical Name:
3-AZABICYCLO[4.1.0]HEPTA-1,3,5-TRIENE
CAS Number:
441798-60-3
Molecular Formula:
C6H5N
Molecular Weight:
91.1106
IUPAC Name:
3-azabicyclo[4.1.0]hepta-1(6),2,4-triene
InChI:
InChI=1S/C6H5N/c1-2-7-4-6-3-5(1)6/h1-2,4H,3H2
InChI Key:
FHUKNSLAVUUQBX-UHFFFAOYSA-N
SMILES:
n1ccc2c(c1)C2
Properties
Complexity:
80.2
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:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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