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Home > Other Heterocycles > 20437-19-8
20437-19-8 | 2-azabicyclo[5.1.0]octane
CAS No: 20437-19-8 Catalog No: AG019RHI MDL No:MFCD17480499
Product Description
Catalog Number:
AG019RHI
Chemical Name:
2-azabicyclo[5.1.0]octane
CAS Number:
20437-19-8
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD17480499
IUPAC Name:
2-azabicyclo[5.1.0]octane
InChI:
InChI=1S/C7H13N/c1-2-4-8-7-5-6(7)3-1/h6-8H,1-5H2
InChI Key:
NVMHSYWERCFZDK-UHFFFAOYSA-N
SMILES:
C1CCC2C(NC1)C2
Properties
Complexity:
90.4
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:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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