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33666-07-8 | 1,2,3-Benzoxathiazin-4(3H)-one, 5,6,7,8-tetrahydro-, 2,2-dioxide
CAS No: 33666-07-8 Catalog No: AG007CSR MDL No:
Product Description
Catalog Number:
AG007CSR
Chemical Name:
1,2,3-Benzoxathiazin-4(3H)-one, 5,6,7,8-tetrahydro-, 2,2-dioxide
CAS Number:
33666-07-8
Molecular Formula:
C7H9NO4S
Molecular Weight:
203.2157
IUPAC Name:
2,2-dioxo-5,6,7,8-tetrahydro-1,2λ6,3-benzoxathiazin-4-one
InChI:
InChI=1S/C7H9NO4S/c9-7-5-3-1-2-4-6(5)12-13(10,11)8-7/h1-4H2,(H,8,9)
InChI Key:
NRWXRQXRXNBNRC-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)OC2=C1CCCC2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.212g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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