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Home > Other Heterocycles > 1823726-43-7
1823726-43-7 | 9-hydroxy-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione hydrochloride
CAS No: 1823726-43-7 Catalog No: AG01B4FZ MDL No:MFCD30180698
Product Description
Catalog Number:
AG01B4FZ
Chemical Name:
9-hydroxy-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione hydrochloride
CAS Number:
1823726-43-7
Molecular Formula:
C7H14ClNO3S
Molecular Weight:
227.7090
MDL Number:
MFCD30180698
IUPAC Name:
3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-ol;hydrochloride
InChI:
InChI=1S/C7H13NO3S.ClH/c9-7-5-1-8-2-6(7)4-12(10,11)3-5;/h5-9H,1-4H2;1H
InChI Key:
RXFLULQLWNEMQN-UHFFFAOYSA-N
SMILES:
OC1C2CNCC1CS(=O)(=O)C2.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.703g/mol
Monoisotopic Mass:
227.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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