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21068-98-4 | 4-Methoxy-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
CAS No: 21068-98-4 Catalog No: AG00CBA0 MDL No:
Product Description
Catalog Number:
AG00CBA0
Chemical Name:
4-Methoxy-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
CAS Number:
21068-98-4
IUPAC Name:
4-methoxy-1,1-dioxo-1λ6,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO4S/c1-14-10-7-4-2-3-5-8(7)15(12,13)6-9(10)11/h2-5H,6H2,1H3
InChI Key:
GBELGWFQFIDOIS-UHFFFAOYSA-N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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