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Home > Other Heterocycles > 88550-34-9
88550-34-9 | 2-Azabicyclo[3.3.1]nonan-9-one, 5-(3-methoxyphenyl)-2-methyl-
CAS No: 88550-34-9 Catalog No: AG004CQ2 MDL No:
Product Description
Catalog Number:
AG004CQ2
Chemical Name:
2-Azabicyclo[3.3.1]nonan-9-one, 5-(3-methoxyphenyl)-2-methyl-
CAS Number:
88550-34-9
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C16H21NO2/c1-17-10-9-16(8-4-7-14(17)15(16)18)12-5-3-6-13(11-12)19-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChI Key:
IHMDTGDWBXXODI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C12CCCC(C2=O)N(CC1)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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