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Home > Other Heterocycles > 1783728-92-6
1783728-92-6 | 9-hydroxy-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS No: 1783728-92-6 Catalog No: AG01B4FY MDL No:MFCD30180697
Product Description
Catalog Number:
AG01B4FY
Chemical Name:
9-hydroxy-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS Number:
1783728-92-6
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
MDL Number:
MFCD30180697
IUPAC Name:
9-methyl-3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-ol
InChI:
InChI=1S/C8H15NO3S/c1-8(10)6-2-9-3-7(8)5-13(11,12)4-6/h6-7,9-10H,2-5H2,1H3
InChI Key:
QWBKRWGEDNNNOH-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CNCC(C1)C2(C)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.272g/mol
Monoisotopic Mass:
205.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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