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Home > Other Heterocycles > 113503-45-0
113503-45-0 | 2-Azabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(methylene)-
CAS No: 113503-45-0 Catalog No: AG0008TY MDL No:
Product Description
Catalog Number:
AG0008TY
Chemical Name:
2-Azabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(methylene)-
CAS Number:
113503-45-0
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
6,7,8,9-tetramethylidene-2-azabicyclo[3.2.2]nonan-3-one
InChI:
InChI=1S/C12H13NO/c1-6-8(3)12-9(4)7(2)10(6)5-11(14)13-12/h10,12H,1-5H2,(H,13,14)
InChI Key:
BZOIJMJSUATKBX-UHFFFAOYSA-N
SMILES:
O=C1CC2C(=C)C(=C)C(N1)C(=C)C2=C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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