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651314-69-1 | 1-Azabicyclo[3.2.2]nonane, 6-(5-isoxazolylethynyl)-
CAS No: 651314-69-1 Catalog No: AG006QX7 MDL No:
Product Description
Catalog Number:
AG006QX7
Chemical Name:
1-Azabicyclo[3.2.2]nonane, 6-(5-isoxazolylethynyl)-
CAS Number:
651314-69-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
5-[2-(1-azabicyclo[3.2.2]nonan-6-yl)ethynyl]-1,2-oxazole
InChI:
InChI=1S/C13H16N2O/c1-2-11-6-9-15(8-1)10-12(11)3-4-13-5-7-14-16-13/h5,7,11-12H,1-2,6,8-10H2
InChI Key:
MUOYPFCEWMPPTL-UHFFFAOYSA-N
SMILES:
C1CN2CCC(C1)C(C2)C#Cc1ccno1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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