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Home > Other Heterocycles > 179737-87-2
179737-87-2 | 6-Azabicyclo[3.1.0]hexane, 6-phenyl-
CAS No: 179737-87-2 Catalog No: AG00278O MDL No:
Product Description
Catalog Number:
AG00278O
Chemical Name:
6-Azabicyclo[3.1.0]hexane, 6-phenyl-
CAS Number:
179737-87-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
6-phenyl-6-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H13N/c1-2-5-9(6-3-1)12-10-7-4-8-11(10)12/h1-3,5-6,10-11H,4,7-8H2
InChI Key:
WSLVGMLHVLRCFY-UHFFFAOYSA-N
SMILES:
C1CC2C(C1)N2c1ccccc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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