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Home > Other Heterocycles > 79352-40-2
79352-40-2 | 9-Oxa-3-azabicyclo[4.2.1]nonan-4-one
CAS No: 79352-40-2 Catalog No: AG005KAH MDL No:
Product Description
Catalog Number:
AG005KAH
Chemical Name:
9-Oxa-3-azabicyclo[4.2.1]nonan-4-one
CAS Number:
79352-40-2
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
9-oxa-3-azabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C7H11NO2/c9-7-3-5-1-2-6(10-5)4-8-7/h5-6H,1-4H2,(H,8,9)
InChI Key:
MBHRDVAZLPWLJP-UHFFFAOYSA-N
SMILES:
O=C1NCC2OC(C1)CC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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