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64552-26-7 | 3-oxo-1,2-benzisothiazole-2(3H)-acetamide
CAS No: 64552-26-7 Catalog No: AG00F72Q MDL No:
Product Description
Catalog Number:
AG00F72Q
Chemical Name:
3-oxo-1,2-benzisothiazole-2(3H)-acetamide
CAS Number:
64552-26-7
IUPAC Name:
2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C9H8N2O2S/c10-8(12)5-11-9(13)6-3-1-2-4-7(6)14-11/h1-4H,5H2,(H2,10,12)
InChI Key:
DWVOOOVGVIEHIA-UHFFFAOYSA-N
EC Number:
264-941-0
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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