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16477-31-9 | 2,6-Piperidinedione, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-
CAS No: 16477-31-9 Catalog No: AG001V3C MDL No:
Product Description
Catalog Number:
AG001V3C
Chemical Name:
2,6-Piperidinedione, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-
CAS Number:
16477-31-9
Molecular Formula:
C12H10N2O5S
Molecular Weight:
294.2832
IUPAC Name:
3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)piperidine-2,6-dione
InChI:
InChI=1S/C12H10N2O5S/c15-10-6-5-8(11(16)13-10)14-12(17)7-3-1-2-4-9(7)20(14,18)19/h1-4,8H,5-6H2,(H,13,15,16)
InChI Key:
NGQWLJWMSAFWFI-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)N1)N1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.281g/mol
Monoisotopic Mass:
294.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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