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Home > Other Heterocycles > 286-44-2
286-44-2 | 8-Azabicyclo[5.1.0]octane
CAS No: 286-44-2 Catalog No: AG002VTS MDL No:MFCD09841849
Product Description
Catalog Number:
AG002VTS
Chemical Name:
8-Azabicyclo[5.1.0]octane
CAS Number:
286-44-2
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD09841849
IUPAC Name:
8-azabicyclo[5.1.0]octane
InChI:
InChI=1S/C7H13N/c1-2-4-6-7(8-6)5-3-1/h6-8H,1-5H2
InChI Key:
YEHCKZHFJYGXMS-UHFFFAOYSA-N
SMILES:
C1CCC2C(CC1)N2
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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