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Home > Other Heterocycles > 1822868-49-4
1822868-49-4 | 7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
CAS No: 1822868-49-4 Catalog No: AG019U5G MDL No:MFCD30180255
Product Description
Catalog Number:
AG019U5G
Chemical Name:
7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
CAS Number:
1822868-49-4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD30180255
IUPAC Name:
7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C14H17NO2/c16-14-12-6-7-17-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
KIHFTERTCRBQJS-UHFFFAOYSA-N
SMILES:
O=C1C2CCOC1CN(C2)Cc1ccccc1
Properties
Complexity:
286
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:
1.4
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