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Home > Other Heterocycles > 1152-45-0
1152-45-0 | 2-Propen-1-one, 1-(3-azabicyclo[3.2.2]non-3-yl)-3-phenyl-
CAS No: 1152-45-0 Catalog No: AG000GEZ MDL No:
Product Description
Catalog Number:
AG000GEZ
Chemical Name:
2-Propen-1-one, 1-(3-azabicyclo[3.2.2]non-3-yl)-3-phenyl-
CAS Number:
1152-45-0
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
(E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H21NO/c19-17(11-10-14-4-2-1-3-5-14)18-12-15-6-7-16(13-18)9-8-15/h1-5,10-11,15-16H,6-9,12-13H2/b11-10+
InChI Key:
XLSCFYZYWNYHKG-ZHACJKMWSA-N
SMILES:
O=C(N1CC2CCC(C1)CC2)C=Cc1ccccc1
NSC Number:
172271
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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