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Home > Other Heterocycles > 81514-40-1
81514-40-1 | 9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CAS No: 81514-40-1 Catalog No: AG0034F1 MDL No:MFCD20134206
Product Description
Catalog Number:
AG0034F1
Chemical Name:
9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CAS Number:
81514-40-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD20134206
IUPAC Name:
9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
InChI:
InChI=1S/C14H17NO2/c16-14-6-12-9-17-10-13(7-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
QNGMGMDGAYWQHD-UHFFFAOYSA-N
SMILES:
O=C1CC2COCC(C1)N2Cc1ccccc1
Properties
Complexity:
270
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
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