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90348-03-1 | 5-Acetylbenzo[d]thiazol-2(3H)-one
CAS No: 90348-03-1 Catalog No: AG01EE2S MDL No:
Product Description
Catalog Number:
AG01EE2S
Chemical Name:
5-Acetylbenzo[d]thiazol-2(3H)-one
CAS Number:
90348-03-1
IUPAC Name:
5-acetyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H7NO2S/c1-5(11)6-2-3-8-7(4-6)10-9(12)13-8/h2-4H,1H3,(H,10,12)
InChI Key:
JETAYRHAAOUIMI-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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