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Home > Other Heterocycles > 1419101-38-4
1419101-38-4 | 3-Thia-9-azabicyclo[3.3.1]nonan-7-one, 3,3-dioxide, hydrochloride (1:1)
CAS No: 1419101-38-4 Catalog No: AG001HCO MDL No:
Product Description
Catalog Number:
AG001HCO
Chemical Name:
3-Thia-9-azabicyclo[3.3.1]nonan-7-one, 3,3-dioxide, hydrochloride (1:1)
CAS Number:
1419101-38-4
Molecular Formula:
C7H12ClNO3S
Molecular Weight:
225.6931
IUPAC Name:
3,3-dioxo-3λ6-thia-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride
InChI:
InChI=1S/C7H11NO3S.ClH/c9-7-1-5-3-12(10,11)4-6(2-7)8-5;/h5-6,8H,1-4H2;1H
InChI Key:
NNRHVGJXGARRDG-UHFFFAOYSA-N
SMILES:
O=C1CC2NC(C1)CS(=O)(=O)C2.Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.687g/mol
Monoisotopic Mass:
225.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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