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Home > Other Heterocycles > 1384427-80-8
1384427-80-8 | 3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one
CAS No: 1384427-80-8 Catalog No: AG019U5J MDL No:MFCD22196365
Product Description
Catalog Number:
AG019U5J
Chemical Name:
3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one
CAS Number:
1384427-80-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD22196365
IUPAC Name:
3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one
InChI:
InChI=1S/C13H15NO2/c15-13-11-7-14(8-12(13)16-9-11)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChI Key:
WCDULSMHAKPJCE-UHFFFAOYSA-N
SMILES:
O=C1C2COC1CN(C2)Cc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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