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178755-54-9 | 2-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]-isothiazol-2-yl)-propionic acid
CAS No: 178755-54-9 Catalog No: AG01AR43 MDL No:MFCD07402321
Product Description
Catalog Number:
AG01AR43
Chemical Name:
2-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]-isothiazol-2-yl)-propionic acid
CAS Number:
178755-54-9
MDL Number:
MFCD07402321
IUPAC Name:
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H9NO5S/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)17(11,15)16/h2-6H,1H3,(H,13,14)
InChI Key:
QXJJZZQKDCRNJJ-UHFFFAOYSA-N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.244g/mol
Monoisotopic Mass:
255.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| A facile synthesis of novel biologically active 4-hydroxy-N'-(benzylidene)-2H-benzo[e][1,2]thiazine-3-carbohydrazide 1,1-dioxides. | European journal of medicinal chemistry 20090301 |
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