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Home > Other Heterocycles > 111896-97-0
111896-97-0 | 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
CAS No: 111896-97-0 Catalog No: AG007DFU MDL No:
Product Description
Catalog Number:
AG007DFU
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
CAS Number:
111896-97-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C12H15NO2/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7,9,11H,3-6,8H2
InChI Key:
OWZARUDERRFQPK-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(C1Cc1ccco1)CC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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