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Home > Other Heterocycles > 1690425-28-5
1690425-28-5 | 3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS No: 1690425-28-5 Catalog No: AG01BEPX MDL No:MFCD28505657
Product Description
Catalog Number:
AG01BEPX
Chemical Name:
3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS Number:
1690425-28-5
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD28505657
IUPAC Name:
3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
InChI:
InChI=1S/C7H13NO2S/c9-11(10)4-6-1-7(5-11)3-8-2-6/h6-8H,1-5H2
InChI Key:
NREJXOYHWHXSJX-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CNCC(C1)C2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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