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Home > Other Heterocycles > 52407-93-9
52407-93-9 | (2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS No: 52407-93-9 Catalog No: AG00IRUC MDL No:MFCD00665085
Product Description
Catalog Number:
AG00IRUC
Chemical Name:
(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
52407-93-9
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
MDL Number:
MFCD00665085
IUPAC Name:
2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C15H17NO2/c1-18-13-4-2-11(3-5-13)10-14-15(17)12-6-8-16(14)9-7-12/h2-5,10,12H,6-9H2,1H3
InChI Key:
DGCCLZXEXPYXMT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C\1/N2CCC(C1=O)CC2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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