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25716-43-2 | 1,2,3-Oxathiazin-4(3H)-one, 5,6-dimethyl-, 2,2-dioxide
CAS No: 25716-43-2 Catalog No: AG007M8M MDL No:
Product Description
Catalog Number:
AG007M8M
Chemical Name:
1,2,3-Oxathiazin-4(3H)-one, 5,6-dimethyl-, 2,2-dioxide
CAS Number:
25716-43-2
Molecular Formula:
C5H7NO4S
Molecular Weight:
177.1784
IUPAC Name:
5,6-dimethyl-2,2-dioxooxathiazin-4-one
InChI:
InChI=1S/C5H7NO4S/c1-3-4(2)10-11(8,9)6-5(3)7/h1-2H3,(H,6,7)
InChI Key:
PPMQSIYTPIQSAX-UHFFFAOYSA-N
SMILES:
CC1=C(C)OS(=O)(=O)NC1=O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.174g/mol
Monoisotopic Mass:
177.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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