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Home > Other Heterocycles > 10028-34-9
10028-34-9 | 2-Azabicyclo[2.2.2]octane-3,6-dione, 2-(phenylmethyl)-
CAS No: 10028-34-9 Catalog No: AG0001GG MDL No:
Product Description
Catalog Number:
AG0001GG
Chemical Name:
2-Azabicyclo[2.2.2]octane-3,6-dione, 2-(phenylmethyl)-
CAS Number:
10028-34-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
2-benzyl-2-azabicyclo[2.2.2]octane-3,6-dione
InChI:
InChI=1S/C14H15NO2/c16-13-8-11-6-7-12(13)15(14(11)17)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChI Key:
FMCPFEWENZUEDW-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC1N(C2=O)Cc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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