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Home > Other Heterocycles > 52455-71-7
52455-71-7 | 2-Benzylidene-1-aza-bicyclo[2.2.2]octan-3-one
CAS No: 52455-71-7 Catalog No: AG016JXU MDL No:
Product Description
Catalog Number:
AG016JXU
Chemical Name:
2-Benzylidene-1-aza-bicyclo[2.2.2]octan-3-one
CAS Number:
52455-71-7
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C14H15NO/c16-14-12-6-8-15(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2/b13-10-
InChI Key:
RBGFDYWXBIXLSF-RAXLEYEMSA-N
SMILES:
O=C1C2CCN(/C/1=C\c1ccccc1)CC2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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