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646057-13-8 | Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine], 1'-(5-isoxazolyl)-
CAS No: 646057-13-8 Catalog No: AG006SPH MDL No:
Product Description
Catalog Number:
AG006SPH
Chemical Name:
Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine], 1'-(5-isoxazolyl)-
CAS Number:
646057-13-8
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
IUPAC Name:
5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole
InChI:
InChI=1S/C12H17N3O/c1-5-13-16-11(1)14-8-4-12(9-14)10-2-6-15(12)7-3-10/h1,5,10H,2-4,6-9H2
InChI Key:
FYWMVMUSKOOASU-UHFFFAOYSA-N
SMILES:
c1noc(c1)N1CCC2(C1)C1CCN2CC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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