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Home > Other Heterocycles > 1934467-89-6
1934467-89-6 | 9lambda6-thia-3-azabicyclo[4.2.1]nonane-4,9,9-trione
CAS No: 1934467-89-6 Catalog No: AG01C2EJ MDL No:MFCD30344798
Product Description
Catalog Number:
AG01C2EJ
Chemical Name:
9lambda6-thia-3-azabicyclo[4.2.1]nonane-4,9,9-trione
CAS Number:
1934467-89-6
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
MDL Number:
MFCD30344798
IUPAC Name:
9,9-dioxo-9λ6-thia-3-azabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C7H11NO3S/c9-7-3-5-1-2-6(4-8-7)12(5,10)11/h5-6H,1-4H2,(H,8,9)
InChI Key:
FPMCDVAYTDSMRL-UHFFFAOYSA-N
SMILES:
O=C1NCC2S(=O)(=O)C(C1)CC2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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