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Home > Other Heterocycles > 1416313-50-2
1416313-50-2 | 2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one
CAS No: 1416313-50-2 Catalog No: AG01A3L2 MDL No:MFCD22741304
Product Description
Catalog Number:
AG01A3L2
Chemical Name:
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one
CAS Number:
1416313-50-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD22741304
IUPAC Name:
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one
InChI:
InChI=1S/C14H17NO2/c1-17-13-6-4-11(5-7-13)15-9-10-2-3-12(15)8-14(10)16/h4-7,10,12H,2-3,8-9H2,1H3
InChI Key:
AGJGSCBGSBTCAT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CC2CCC1CC2=O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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