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132635-95-1 | 3H-Pyrrolo[1,2-c][1,2,3]oxathiazole, tetrahydro-, 1,1-dioxide, (3aS)-
CAS No: 132635-95-1 Catalog No: AG0010XL MDL No:
Product Description
Catalog Number:
AG0010XL
Chemical Name:
3H-Pyrrolo[1,2-c][1,2,3]oxathiazole, tetrahydro-, 1,1-dioxide, (3aS)-
CAS Number:
132635-95-1
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
IUPAC Name:
(3aS)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide
InChI:
InChI=1S/C5H9NO3S/c7-10(8)6-3-1-2-5(6)4-9-10/h5H,1-4H2/t5-/m0/s1
InChI Key:
WFFHPXGNIIMFHE-YFKPBYRVSA-N
SMILES:
O=S1(=O)OC[C@H]2N1CCC2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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