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Home > Other Heterocycles > 83601-55-2
83601-55-2 | 8-Oxa-3-azabicyclo[3.2.1]octan-2-one
CAS No: 83601-55-2 Catalog No: AG0057EF MDL No:MFCD22371799
Product Description
Catalog Number:
AG0057EF
Chemical Name:
8-Oxa-3-azabicyclo[3.2.1]octan-2-one
CAS Number:
83601-55-2
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD22371799
IUPAC Name:
8-oxa-3-azabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C6H9NO2/c8-6-5-2-1-4(9-5)3-7-6/h4-5H,1-3H2,(H,7,8)
InChI Key:
MNYUSIQFKHKEQT-UHFFFAOYSA-N
SMILES:
O=C1NCC2OC1CC2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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