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Home > Other Heterocycles > 1368039-95-5
1368039-95-5 | 2-benzyl-9-oxa-2-azaspiro[5.5]undecan-5-one
CAS No: 1368039-95-5 Catalog No: AG01DYP4 MDL No:MFCD22033344
Product Description
Catalog Number:
AG01DYP4
Chemical Name:
2-benzyl-9-oxa-2-azaspiro[5.5]undecan-5-one
CAS Number:
1368039-95-5
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD22033344
IUPAC Name:
2-benzyl-9-oxa-2-azaspiro[5.5]undecan-5-one
InChI:
InChI=1S/C16H21NO2/c18-15-6-9-17(12-14-4-2-1-3-5-14)13-16(15)7-10-19-11-8-16/h1-5H,6-13H2
InChI Key:
FNKZIOVPNGHCPG-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC21CCOCC2)Cc1ccccc1
Properties
Complexity:
317
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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