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80563-77-5 | 4-Hydroxy-1H-1,2-benzisothiazole-1,1,3(2H);-trione
CAS No: 80563-77-5 Catalog No: AG008MAP MDL No:MFCD01936081
Product Description
Catalog Number:
AG008MAP
Chemical Name:
4-Hydroxy-1H-1,2-benzisothiazole-1,1,3(2H);-trione
CAS Number:
80563-77-5
Molecular Formula:
C7H5NO4S
Molecular Weight:
199.1839
MDL Number:
MFCD01936081
IUPAC Name:
4-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H5NO4S/c9-4-2-1-3-5-6(4)7(10)8-13(5,11)12/h1-3,9H,(H,8,10)
InChI Key:
XAPBTHFURNHTFN-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1c(O)ccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.18g/mol
Monoisotopic Mass:
198.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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