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Home > Other Heterocycles > 1955547-33-7
1955547-33-7 | 4-oxa-7lambda6-thia-1-azabicyclo[3.2.1]octane-7,7-dione
CAS No: 1955547-33-7 Catalog No: AG01B56R MDL No:MFCD30181009
Product Description
Catalog Number:
AG01B56R
Chemical Name:
4-oxa-7lambda6-thia-1-azabicyclo[3.2.1]octane-7,7-dione
CAS Number:
1955547-33-7
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
MDL Number:
MFCD30181009
IUPAC Name:
4-oxa-7λ6-thia-1-azabicyclo[3.2.1]octane 7,7-dioxide
InChI:
InChI=1S/C5H9NO3S/c7-10(8)4-5-3-6(10)1-2-9-5/h5H,1-4H2
InChI Key:
XEPREEXVTMLISJ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CN1CCO2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.191g/mol
Monoisotopic Mass:
163.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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